N-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide Openeye Name: 1-(1-isopropyl-4-piperidyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide Traditional Name: 1-(1-isopropyl-4-piperidyl)-N-[4-(methylthio)benzyl]nipecotamide Formula: C22H35N3OS MolecularWeight: 389.5978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)N1CCC(CC1)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H35N3OS/c1-17(2)24-13-10-20(11-14-24)25-12-4-5-19(16-25)22(26)23-15-18-6-8-21(27-3)9-7-18/h6-9,17,19-20H,4-5,10-16H2,1-3H3,(H,23,26)