N-[3-cyano-6-(4-imidazol-1-ylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

Systemtic Name: N-[3-cyano-6-(4-imidazol-1-ylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide Openeye Name: N-[3-cyano-6-(4-imidazol-1-ylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide CAS Name: N-[3-cyano-6-[4-(1-imidazolyl)-1-oxobutyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide IUPAC Name: N-[3-cyano-6-(4-imidazol-1-ylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide Traditional Name: N-[3-cyano-6-(4-imidazol-1-ylbutanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C#N)C(=O)CCCN4C=CN=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C#N)C(=O)CCCN4C=CN=C4

InChI

InChI=1S/C22H21N5O2S/c23-13-18-17-8-11-27(20(28)7-4-10-26-12-9-24-15-26)14-19(17)30-22(18)25-21(29)16-5-2-1-3-6-16/h1-3,5-6,9,12,15H,4,7-8,10-11,14H2,(H,25,29)