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

Systemtic Name: methyl 4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-24-15(21)11-2-6-12(7-3-11)17-16(25)18-14(20)10-4-8-13(9-5-10)19(22)23/h2-9H,1H3,(H2,17,18,20,25)