N-(3-cyanothiophen-2-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]acetamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H23N5O3S3/c1-2-26-18-7-6-16(32(28,29)25-9-4-3-5-10-25)12-17(18)23-21(26)31-14-19(27)24-20-15(13-22)8-11-30-20/h6-8,11-12H,2-5,9-10,14H2,1H3,(H,24,27)