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

Systemtic Name: 3-ethyl-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-ethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-ethyl-1-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-ethyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-ethyl-1-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H25N5OS MolecularWeight: 455.5746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H25N5OS/c1-2-19-16-25(31-23-11-7-6-10-22(23)28-26(31)21(19)17-27)33-18-24(32)30-14-12-29(13-15-30)20-8-4-3-5-9-20/h3-11,16H,2,12-15,18H2,1H3