ethyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c1-3-25-16(21)11-4-6-12(7-5-11)18-17(26)19-14-9-8-13(20(22)23)10-15(14)24-2/h4-10H,3H2,1-2H3,(H2,18,19,26)