1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCCCCC4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCCCCC4)C#N

InChI

InChI=1S/C22H24N4OS/c1-2-16-13-21(28-15-20(27)25-11-7-3-4-8-12-25)26-19-10-6-5-9-18(19)24-22(26)17(16)14-23/h5-6,9-10,13H,2-4,7-8,11-12,15H2,1H3