N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]thio]acetamide Formula: C25H31N5O3S3 MolecularWeight: 545.74034

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N

InChI

InChI=1S/C25H31N5O3S3/c1-5-29(6-2)36(32,33)17-9-11-21-20(13-17)27-25(30(21)7-3)34-15-23(31)28-24-19(14-26)18-10-8-16(4)12-22(18)35-24/h9,11,13,16H,5-8,10,12,15H2,1-4H3,(H,28,31)