2-methylsulfanyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[[1-(2-thienylmethyl)-4-piperidyl]methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[1-(thiophen-2-ylmethyl)-4-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[[1-(2-thenyl)-4-piperidyl]methyl]nicotinamide Formula: C18H23N3OS2 MolecularWeight: 361.52472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3OS2/c1-23-18-16(5-2-8-19-18)17(22)20-12-14-6-9-21(10-7-14)13-15-4-3-11-24-15/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,20,22)