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

Systemtic Name: methyl 3-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(3-chloro-4-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-methylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H15ClN2O2S MolecularWeight: 334.8205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C16H15ClN2O2S/c1-10-6-7-13(9-14(10)17)19-16(22)18-12-5-3-4-11(8-12)15(20)21-2/h3-9H,1-2H3,(H2,18,19,22)