diethyl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)OCC

InChI

InChI=1S/C20H21N3O7S/c1-4-29-18(24)12-8-13(19(25)30-5-2)10-14(9-12)21-20(31)22-16-7-6-15(23(26)27)11-17(16)28-3/h6-11H,4-5H2,1-3H3,(H2,21,22,31)