methyl 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(5-chloranyl-2-methyl-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(5-chloro-2-methyl-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-chloro-2-methylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(5-chloro-2-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)Cl)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

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

InChI

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