[4-(2-methylpropyl)phenyl]-[1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidin-4-yl]methanone

Systemtic Name: [4-(2-methylpropyl)phenyl]-[1-[(2-sulfanylidene-1H-pyridin-3-yl)carbonyl]piperidin-4-yl]methanone Openeye Name: (4-isobutylphenyl)-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]methanone CAS Name: [4-(2-methylpropyl)phenyl]-[1-[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]-4-piperidinyl]methanone IUPAC Name: [4-(2-methylpropyl)phenyl]-[1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidin-4-yl]methanone Traditional Name: (4-isobutylphenyl)-[1-(2-thioxo-1H-pyridine-3-carbonyl)-4-piperidyl]methanone Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C22H26N2O2S/c1-15(2)14-16-5-7-17(8-6-16)20(25)18-9-12-24(13-10-18)22(26)19-4-3-11-23-21(19)27/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,23,27)