N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-ethyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(1-ethyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(1-ethyl-5-sulfamoyl-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)N)N=C1SCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

InChI

InChI=1S/C21H23N5O3S3/c1-2-26-17-9-8-13(32(23,28)29)10-16(17)24-21(26)30-12-19(27)25-20-15(11-22)14-6-4-3-5-7-18(14)31-20/h8-10H,2-7,12H2,1H3,(H,25,27)(H2,23,28,29)