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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[1-(m-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[[1-(3-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[[1-(m-tolyl)imidazol-2-yl]thio]propionamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H22N4OS2/c1-15-5-4-6-16(13-15)26-11-10-24-22(26)28-12-9-20(27)25-21-18(14-23)17-7-2-3-8-19(17)29-21/h4-6,10-11,13H,2-3,7-9,12H2,1H3,(H,25,27)