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

Systemtic Name: methyl 3-[(4-aminocarbonylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-carbamoylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-carbamoylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-carbamoylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-carbamoylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-24-16(23)12-4-2-3-11(9-12)15(22)20-17(25)19-13-7-5-10(6-8-13)14(18)21/h2-9H,1H3,(H2,18,21)(H2,19,20,22,25)