N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H22N4OS2/c1-26-11-10-24-22(26)28-12-9-20(27)25-21-18(14-23)17-8-7-16(13-19(17)29-21)15-5-3-2-4-6-15/h2-6,10-11,16H,7-9,12-13H2,1H3,(H,25,27)