N-ethyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide

Systemtic Name: N-ethyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]-N-phenyl-benzamide Openeye Name: N-ethyl-3-[(4-nitrobenzoyl)carbamothioylamino]-N-phenyl-benzamide CAS Name: N-ethyl-3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-ethyl-3-[(4-nitrobenzoyl)carbamothioylamino]-N-phenylbenzamide Traditional Name: N-ethyl-3-[(4-nitrobenzoyl)thiocarbamoylamino]-N-phenyl-benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-2-26(19-9-4-3-5-10-19)22(29)17-7-6-8-18(15-17)24-23(32)25-21(28)16-11-13-20(14-12-16)27(30)31/h3-15H,2H2,1H3,(H2,24,25,28,32)