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

Systemtic Name: methyl 4-[(3-benzamidophenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-benzamidophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(3-benzamidoanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-benzamidophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-benzamidophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H19N3O4S/c1-30-22(29)17-12-10-16(11-13-17)21(28)26-23(31)25-19-9-5-8-18(14-19)24-20(27)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,27)(H2,25,26,28,31)