N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[5-(diethylsulfamoyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[5-(diethylsulfamoyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[5-(diethylsulfamoyl)-2-pyridyl]thio]propionamide Formula: C21H26N4O3S3 MolecularWeight: 478.65114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H26N4O3S3/c1-3-25(4-2)31(27,28)15-9-10-20(23-14-15)29-12-11-19(26)24-21-17(13-22)16-7-5-6-8-18(16)30-21/h9-10,14H,3-8,11-12H2,1-2H3,(H,24,26)