1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonyl-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]carbonyl-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[3-nitro-4-(p-tolylsulfanyl)benzoyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]-oxomethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[4-(4-methylphenyl)sulfanyl-3-nitrobenzoyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[3-nitro-4-(p-tolylthio)benzoyl]-N-phenyl-isonipecotamide Formula: C26H25N3O4S MolecularWeight: 475.5594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O4S/c1-18-7-10-22(11-8-18)34-24-12-9-20(17-23(24)29(32)33)26(31)28-15-13-19(14-16-28)25(30)27-21-5-3-2-4-6-21/h2-12,17,19H,13-16H2,1H3,(H,27,30)