dimethyl 5-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-chloro-4-methylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5S/c1-10-4-5-11(9-15(10)20)16(23)22-19(28)21-14-7-12(17(24)26-2)6-13(8-14)18(25)27-3/h4-9H,1-3H3,(H2,21,22,23,28)