N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide

Base Information

Chemical Name:N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide
CAS No.:111416-65-0
Molecular Formula:C20H22N4O2S2
Molecular Weight:414.552
Hs Code.:
DSSTox Substance ID:DTXSID10573316
Wikidata:Q82461986

Synonyms:111416-65-0;N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide;DTXSID10573316;N,N'-(Butane-1,4-diyldicarbamothioyl)dibenzamide;3,3'-Dibenzoyl-1,1'-(butane-1,4-diyl)dithiourea

Suppliers and Price of N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:414.11841830
Heavy Atom Count:28
Complexity:496

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=S)NCCCCNC(=S)NC(=O)C2=CC=CC=C2

Technology Process of N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide

There total 4 articles about N-[4-(benzoylcarbamothioylamino)butylcarbamothioyl]benzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.8%

: 110-60-1
1,4-diaminobutane

: 532-55-8
Benzoyl isothiocyanate

: 111416-65-0
3-benzoyl-1-(4-{[(phenylformamido)methanethioyl]amino}butyl)thiourea

Guidance literature:: In dichloromethane; at 20 ℃; for 2.5h;
DOI:10.14233/ajchem.2013.15157a

Reference yield:

: 98-88-4
benzoyl chloride

: 111416-65-0
3-benzoyl-1-(4-{[(phenylformamido)methanethioyl]amino}butyl)thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: polyethylene glycol-400 / dichloromethane / 1 h / 20 °C

2: dichloromethane / 2.5 h / 20 °C

With polyethylene glycol-400; In dichloromethane;
DOI:10.14233/ajchem.2013.15157a

Reference yield:

: 98-88-4
benzoyl chloride

: 111416-65-0
3-benzoyl-1-(4-{[(phenylformamido)methanethioyl]amino}butyl)thiourea

Guidance literature:: Multi-step reaction with 2 steps

1: polyethylene glycol-400 / CH₂Cl₂ / 1 h / 20 °C

2: polyethylene glycol-400 / CH₂Cl₂ / 20 °C

With polyethylene glycol-400; In dichloromethane;
DOI:10.1080/10426500490473456