1-[(3S)-3-methylpiperidin-1-yl]-2-(3-phenylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(3-phenylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-(3-phenylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[(3-phenyl-2-quinoxalinyl)thio]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(3-phenylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-[(3-phenylquinoxalin-2-yl)thio]ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-16-8-7-13-25(14-16)20(26)15-27-22-21(17-9-3-2-4-10-17)23-18-11-5-6-12-19(18)24-22/h2-6,9-12,16H,7-8,13-15H2,1H3/t16-/m0/s1