butyl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O6S/c1-2-3-12-33-22(29)16-4-7-18(8-5-16)24-23(34)25-21(28)17-6-9-19(20(15-17)27(30)31)26-10-13-32-14-11-26/h4-9,15H,2-3,10-14H2,1H3,(H2,24,25,28,34)