diethyl 5-[(3-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-nitrophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S/c1-3-27-17(23)12-8-13(18(24)28-4-2)10-15(9-12)21-19(29)20-14-6-5-7-16(11-14)22(25)26/h5-11H,3-4H2,1-2H3,(H2,20,21,29)