butyl 4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O5S/c1-2-3-15-33-23(30)17-7-10-19(11-8-17)25-24(34)26-22(29)18-9-12-20(21(16-18)28(31)32)27-13-5-4-6-14-27/h7-12,16H,2-6,13-15H2,1H3,(H2,25,26,29,34)