2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 1-(1-piperidyl)-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-ethanone CAS Name: 2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]-1-piperidino-ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C23H25N3OS/c1-17-9-11-18(12-10-17)15-21-23(25-20-8-4-3-7-19(20)24-21)28-16-22(27)26-13-5-2-6-14-26/h3-4,7-12H,2,5-6,13-16H2,1H3