N-butyl-4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-4-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-butyl-4-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N-butyl-4-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N-butyl-4-[(4-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-2-3-12-20-17(24)13-4-8-15(9-5-13)21-19(28)22-18(25)14-6-10-16(11-7-14)23(26)27/h4-11H,2-3,12H2,1H3,(H,20,24)(H2,21,22,25,28)