1-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-N-(2-methylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-[2-(2-cyanophenyl)sulfanylphenyl]carbonyl-N-(2-methylpropyl)piperidine-3-carboxamide Openeye Name: 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-isobutyl-piperidine-3-carboxamide CAS Name: 1-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-N-(2-methylpropyl)-3-piperidinecarboxamide IUPAC Name: 1-[2-(2-cyanophenyl)sulfanylbenzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide Traditional Name: 1-[2-[(2-cyanophenyl)thio]benzoyl]-N-isobutyl-nipecotamide Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CNC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C24H27N3O2S/c1-17(2)15-26-23(28)19-9-7-13-27(16-19)24(29)20-10-4-6-12-22(20)30-21-11-5-3-8-18(21)14-25/h3-6,8,10-12,17,19H,7,9,13,15-16H2,1-2H3,(H,26,28)