(2R)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzyl-1-piperidyl)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]propan-1-one CAS Name: (2R)-2-[(3-methyl-2-quinoxalinyl)methylthio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperidin-1-yl)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]propan-1-one Traditional Name: (2R)-1-(4-benzylpiperidino)-2-[(3-methylquinoxalin-2-yl)methylthio]propan-1-one Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC(C)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CS[C@H](C)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-18-24(27-23-11-7-6-10-22(23)26-18)17-30-19(2)25(29)28-14-12-21(13-15-28)16-20-8-4-3-5-9-20/h3-11,19,21H,12-17H2,1-2H3/t19-/m1/s1