4-acetamido-N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]benzamide

Systemtic Name: 4-acetamido-N-[[2-(4-methylphenyl)sulfanyl-5-nitro-phenyl]methylideneamino]benzamide Openeye Name: 4-acetamido-N-[[5-nitro-2-(p-tolylsulfanyl)phenyl]methyleneamino]benzamide CAS Name: 4-acetamido-N-[[2-[(4-methylphenyl)thio]-5-nitrophenyl]methylideneamino]benzamide IUPAC Name: 4-acetamido-N-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylideneamino]benzamide Traditional Name: 4-acetamido-N-[[5-nitro-2-(p-tolylthio)benzylidene]amino]benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=C(C=C3)NC(=O)C

InChI

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