3-({[(3-Methoxynaphthalen-2-yl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid

Base Information

• Chemical Name: 3-({[(3-Methoxynaphthalen-2-yl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid
• CAS No.: 532416-02-7
• Molecular Formula: C21H18N2O4S
• Molecular Weight: 394.44
• DSSTox Substance ID: DTXSID601331208
• ChEMBL ID: CHEMBL1456384
• Mol file: 532416-02-7.mol

Synonyms:3-({[(3-methoxynaphthalen-2-yl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid;532416-02-7;MLS000778409;CHEMBL1456384;DTXSID601331208;HMS2762H16;STK184588;3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-2-methylbenzoic acid;AKOS000294162;SMR000415203;3-[3-(3-Methoxy-naphthalene-2-carbonyl)-thioureido]-2-methyl-benzoic acid

Chemical Property of 3-({[(3-Methoxynaphthalen-2-yl)carbonyl]carbamothioyl}amino)-2-methylbenzoic acid

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 394.09872823
• Heavy Atom Count: 28
• Complexity: 599

Purity/Quality:

3-[[[[(3-METHOXY-2-NAPHTHALENYL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2OC)C(=O)O