diethyl 5-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(5-chloranyl-2-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(5-chloro-2-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-chloro-2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-chloro-2-methyl-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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