1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-[2-(methylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-[2-(methylthio)ethyl]isonipecotamide Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1CCN(CC1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CSCCNC(=O)C1CCN(CC1)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H30N4O2S/c1-28-15-10-22-20(26)16-6-11-24(12-7-16)17-8-13-25(14-9-17)21-23-18-4-2-3-5-19(18)27-21/h2-5,16-17H,6-15H2,1H3,(H,22,26)