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

Systemtic Name: diethyl 2-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 2-[(5-chloro-2-methylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C20H21ClN2O4S/c1-4-26-18(24)13-7-9-15(19(25)27-5-2)17(10-13)23-20(28)22-16-11-14(21)8-6-12(16)3/h6-11H,4-5H2,1-3H3,(H2,22,23,28)