1-[4-(phenylmethyl)piperazin-1-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(4,6,8-trimethyl-2-quinolinyl)thio]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propan-1-one Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H31N3OS/c1-18-14-20(3)25-23(15-18)19(2)16-24(27-25)31-21(4)26(30)29-12-10-28(11-13-29)17-22-8-6-5-7-9-22/h5-9,14-16,21H,10-13,17H2,1-4H3