2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-benzimidazolyl]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]-1-(4-methylpiperidino)ethanone Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H32N4O2S/c1-18-10-14-26(15-11-18)21(28)16-27-20-9-5-4-8-19(20)24-23(27)30-17-22(29)25-12-6-2-3-7-13-25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3