dimethyl 2-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(5-chloro-2-methyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-chloro-2-methylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O4S/c1-10-4-6-12(19)9-14(10)20-18(26)21-15-8-11(16(22)24-2)5-7-13(15)17(23)25-3/h4-9H,1-3H3,(H2,20,21,26)