N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-(phenylmethylsulfanyl)butanamide

Systemtic Name: N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-(phenylmethylsulfanyl)butanamide Openeye Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-benzylsulfanyl-butanamide CAS Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-(phenylmethylthio)butanamide IUPAC Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-benzylsulfanylbutanamide Traditional Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-(benzylthio)butyramide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S2/c1-15(25)24-10-9-17-18(12-22)21(28-19(17)13-24)23-20(26)8-5-11-27-14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-11,13-14H2,1H3,(H,23,26)