2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(5-chloro-2-thienyl)-4-keto-butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H17ClN2O3S MolecularWeight: 376.85718

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCC(=O)C3=CC=C(S3)Cl)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCC(=O)C3=CC=C(S3)Cl)C(=O)N

InChI

InChI=1S/C18H17ClN2O3S/c19-16-7-6-15(25-16)14(22)5-8-17(23)21-10-12-4-2-1-3-11(12)9-13(21)18(20)24/h1-4,6-7,13H,5,8-10H2,(H2,20,24)