1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-[3-(1-piperidyl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[[3-(1-piperidinyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(3-piperidinoquinoxalin-2-yl)thio]ethanone Formula: C26H30ClN5OS MolecularWeight: 496.0673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCCCC5

InChI

InChI=1S/C26H30ClN5OS/c1-19-9-10-20(27)17-23(19)30-13-15-31(16-14-30)24(33)18-34-26-25(32-11-5-2-6-12-32)28-21-7-3-4-8-22(21)29-26/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3