2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]ethanamide

Systemtic Name: 2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]ethanamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: 2-[(1-methyl-2-oxo-4-quinolinyl)thio]-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]acetamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-2-[(2-keto-1-methyl-4-quinolyl)thio]acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-27-22-10-6-5-9-21(22)23(17-25(27)31)32-19-24(30)26-11-12-28-13-15-29(16-14-28)18-20-7-3-2-4-8-20/h2-10,17H,11-16,18-19H2,1H3,(H,26,30)