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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H22N4O2S2/c1-28-16-6-4-5-15(13-16)26-11-10-24-22(26)29-12-9-20(27)25-21-18(14-23)17-7-2-3-8-19(17)30-21/h4-6,10-11,13H,2-3,7-9,12H2,1H3,(H,25,27)