methyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C17H15ClN2O4S/c1-23-14-8-7-12(9-13(14)18)19-17(25)20-15(21)10-3-5-11(6-4-10)16(22)24-2/h3-9H,1-2H3,(H2,19,20,21,25)