2-(3-methylquinoxalin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3-methylquinoxalin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-propan-1-one CAS Name: 2-[(3-methyl-2-quinoxalinyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(3-methylquinoxalin-2-yl)thio]propan-1-one Formula: C23H26N4OS MolecularWeight: 406.54374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17-22(25-21-11-7-6-10-20(21)24-17)29-18(2)23(28)27-14-12-26(13-15-27)16-19-8-4-3-5-9-19/h3-11,18H,12-16H2,1-2H3