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

Systemtic Name: N-(3-cyano-6-ethanoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-phenylsulfanyl-butanamide CAS Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-(phenylthio)butanamide IUPAC Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-phenylsulfanylbutanamide Traditional Name: N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-(phenylthio)butyramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S2/c1-14(24)23-10-9-16-17(12-21)20(27-18(16)13-23)22-19(25)8-5-11-26-15-6-3-2-4-7-15/h2-4,6-7H,5,8-11,13H2,1H3,(H,22,25)