methyl 4-[(3-acetamidophenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(3-acetamidophenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-acetamidophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-acetamidophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-acetamidophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-11(22)19-14-4-3-5-15(10-14)20-18(26)21-16(23)12-6-8-13(9-7-12)17(24)25-2/h3-10H,1-2H3,(H,19,22)(H2,20,21,23,26)