(2S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: (2S)-1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidyl]-2-phenylsulfanyl-propan-1-one CAS Name: (2S)-1-[(3S)-3-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-(phenylthio)-1-propanone IUPAC Name: (2S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: (2S)-1-[(3S)-3-(1H-benzimidazol-2-yl)piperidino]-2-(phenylthio)propan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C2=NC3=CC=CC=C3N2)SC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@@H](C1)C2=NC3=CC=CC=C3N2)SC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c1-15(26-17-9-3-2-4-10-17)21(25)24-13-7-8-16(14-24)20-22-18-11-5-6-12-19(18)23-20/h2-6,9-12,15-16H,7-8,13-14H2,1H3,(H,22,23)/t15-,16-/m0/s1