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

Systemtic Name: methyl 4-[(3-chloranyl-4-methyl-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(3-chloro-4-methyl-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(3-chloro-4-methyl-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-10-3-8-13(9-14(10)18)19-17(24)20-15(21)11-4-6-12(7-5-11)16(22)23-2/h3-9H,1-2H3,(H2,19,20,21,24)