1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanyl-butan-1-one

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanyl-butan-1-one Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanyl-butan-1-one CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-(phenylthio)-1-butanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylsulfanylbutan-1-one Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-4-(phenylthio)butan-1-one Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3OS/c25-20(13-7-15-26-16-8-2-1-3-9-16)24-14-6-12-19(24)21-22-17-10-4-5-11-18(17)23-21/h1-5,8-11,19H,6-7,12-15H2,(H,22,23)/t19-/m0/s1