N-[1-[2-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide

Systemtic Name: N-[1-[2-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-oxidanylidene-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide Openeye Name: N-[1-[2-[4-(o-tolylsulfanyl)-1-piperidyl]-2-oxo-ethyl]pyrazol-4-yl]-3-phenoxy-propanamide CAS Name: N-[1-[2-[4-[(2-methylphenyl)thio]-1-piperidinyl]-2-oxoethyl]-4-pyrazolyl]-3-phenoxypropanamide IUPAC Name: N-[1-[2-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide Traditional Name: N-[1-[2-keto-2-[4-(o-tolylthio)piperidino]ethyl]pyrazol-4-yl]-3-phenoxy-propionamide Formula: C26H30N4O3S MolecularWeight: 478.6064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2CCN(CC2)C(=O)CN3C=C(C=N3)NC(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1SC2CCN(CC2)C(=O)CN3C=C(C=N3)NC(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-20-7-5-6-10-24(20)34-23-11-14-29(15-12-23)26(32)19-30-18-21(17-27-30)28-25(31)13-16-33-22-8-3-2-4-9-22/h2-10,17-18,23H,11-16,19H2,1H3,(H,28,31)