2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-1-benzimidazolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]benzimidazol-1-yl]-1-piperidino-ethanone Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O2S/c1-17-8-7-13-25(14-17)21(28)16-29-22-23-18-9-3-4-10-19(18)26(22)15-20(27)24-11-5-2-6-12-24/h3-4,9-10,17H,2,5-8,11-16H2,1H3/t17-/m0/s1