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

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-N-isopropyl-acetamide CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-benzimidazolyl]-N-propan-2-ylacetamide IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]-N-isopropyl-acetamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2S/c1-15(2)21-18(25)13-24-17-10-6-5-9-16(17)22-20(24)27-14-19(26)23-11-7-3-4-8-12-23/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3,(H,21,25)