6-ethanoyl-2-[4-(phenylmethylsulfanyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

Systemtic Name: 6-ethanoyl-2-[4-(phenylmethylsulfanyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Openeye Name: 6-acetyl-2-(4-benzylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide CAS Name: 6-acetyl-2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide IUPAC Name: 6-acetyl-2-(4-benzylsulfanylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Traditional Name: 6-acetyl-2-[4-(benzylthio)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-14(25)24-10-9-16-17(12-24)29-21(19(16)20(22)27)23-18(26)8-5-11-28-13-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3,(H2,22,27)(H,23,26)