propyl 4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-2-11-26-17(23)13-3-7-14(8-4-13)19-18(27)20-16(22)12-5-9-15(10-6-12)21(24)25/h3-10H,2,11H2,1H3,(H2,19,20,22,27)