1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-methyl-2-pyridyl)piperazin-1-yl]-2-[3-(1-piperidyl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 1-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]-2-[[3-(1-piperidinyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-(4-methylpyridin-2-yl)piperazin-1-yl]-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-methyl-2-pyridyl)piperazino]-2-[(3-piperidinoquinoxalin-2-yl)thio]ethanone Formula: C25H30N6OS MolecularWeight: 462.6103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6OS/c1-19-9-10-26-22(17-19)29-13-15-30(16-14-29)23(32)18-33-25-24(31-11-5-2-6-12-31)27-20-7-3-4-8-21(20)28-25/h3-4,7-10,17H,2,5-6,11-16,18H2,1H3