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

Systemtic Name: dimethyl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H17N3O7S MolecularWeight: 419.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H17N3O7S/c1-26-15-9-13(21(24)25)4-5-14(15)20-18(29)19-12-7-10(16(22)27-2)6-11(8-12)17(23)28-3/h4-9H,1-3H3,(H2,19,20,29)