methyl 4-[(2-chlorophenyl)methylcarbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylcarbamoyl]benzoate Traditional Name: 4-[(2-chlorobenzyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-23-16(22)12-8-6-11(7-9-12)15(21)20-17(24)19-10-13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H2,19,20,21,24)