2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-benzimidazolyl]-N-tert-butylacetamide IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-tert-butylacetamide Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]-N-tert-butyl-acetamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N4O2S/c1-21(2,3)23-18(26)14-25-17-11-7-6-10-16(17)22-20(25)28-15-19(27)24-12-8-4-5-9-13-24/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3,(H,23,26)