(2S)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-[(2S)-2-ethyl-1-piperidyl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-[(2S)-2-ethyl-1-piperidinyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]-1-propanone IUPAC Name: (2S)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-[(2S)-2-ethylpiperidino]-2-[(1-phenethylbenzimidazol-2-yl)thio]propan-1-one Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3OS/c1-3-21-13-9-10-17-27(21)24(29)19(2)30-25-26-22-14-7-8-15-23(22)28(25)18-16-20-11-5-4-6-12-20/h4-8,11-12,14-15,19,21H,3,9-10,13,16-18H2,1-2H3/t19-,21-/m0/s1