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

Systemtic Name: 2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-1-benzimidazolyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]benzimidazol-1-yl]-1-pyrrolidino-ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2S/c1-16-7-6-12-24(13-16)20(27)15-28-21-22-17-8-2-3-9-18(17)25(21)14-19(26)23-10-4-5-11-23/h2-3,8-9,16H,4-7,10-15H2,1H3/t16-/m0/s1