2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-1-[4-(2-thenyl)piperazino]ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H23N3OS2/c1-16-13-20(22-19-7-3-2-6-18(16)19)27-15-21(25)24-10-8-23(9-11-24)14-17-5-4-12-26-17/h2-7,12-13H,8-11,14-15H2,1H3