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

Systemtic Name: diethyl 5-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-methoxy-5-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-5-27-19(24)14-10-15(20(25)28-6-2)12-16(11-14)22-21(29)23-17-9-13(3)7-8-18(17)26-4/h7-12H,5-6H2,1-4H3,(H2,22,23,29)