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

Systemtic Name: diethyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-methoxy-5-methylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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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)C)OC

Isomeric SMILES

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

InChI

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