1-(4-methylpiperidin-1-yl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanone Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-1-(4-methylpiperidino)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-17-11-13-26(14-12-17)22(27)16-28-23-21(15-18-7-3-2-4-8-18)24-19-9-5-6-10-20(19)25-23/h2-10,17H,11-16H2,1H3