2-(methylamino)-N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]ethanamide

Systemtic Name: 2-(methylamino)-N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]ethanamide Openeye Name: 2-(methylamino)-N-[4-methyl-3-[1-[[4-(2-pyridylsulfanyl)phenyl]methyl]-4-piperidyl]phenyl]acetamide CAS Name: 2-(methylamino)-N-[4-methyl-3-[1-[[4-(2-pyridinylthio)phenyl]methyl]-4-piperidinyl]phenyl]acetamide IUPAC Name: 2-(methylamino)-N-[4-methyl-3-[1-[(4-pyridin-2-ylsulfanylphenyl)methyl]piperidin-4-yl]phenyl]acetamide Traditional Name: 2-(methylamino)-N-[4-methyl-3-[1-[4-(2-pyridylthio)benzyl]-4-piperidyl]phenyl]acetamide Formula: C27H32N4OS MolecularWeight: 460.63418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC)C2CCN(CC2)CC3=CC=C(C=C3)SC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC)C2CCN(CC2)CC3=CC=C(C=C3)SC4=CC=CC=N4

InChI

InChI=1S/C27H32N4OS/c1-20-6-9-23(30-26(32)18-28-2)17-25(20)22-12-15-31(16-13-22)19-21-7-10-24(11-8-21)33-27-5-3-4-14-29-27/h3-11,14,17,22,28H,12-13,15-16,18-19H2,1-2H3,(H,30,32)