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

Systemtic Name: 2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-2-quinoxalinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[3-(4-chlorobenzyl)quinoxalin-2-yl]thio]-1-piperidino-ethanone Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3OS/c23-17-10-8-16(9-11-17)14-20-22(25-19-7-3-2-6-18(19)24-20)28-15-21(27)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-15H2