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

Systemtic Name: diethyl 5-[(5-chloranyl-2-methoxy-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(5-chloro-2-methoxy-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-chloro-2-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-chloro-2-methoxy-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c1-4-27-18(24)12-8-13(19(25)28-5-2)10-15(9-12)22-20(29)23-16-11-14(21)6-7-17(16)26-3/h6-11H,4-5H2,1-3H3,(H2,22,23,29)