N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4CN3C(=O)C5=CC=CO5)C(=O)N

InChI

InChI=1S/C24H23N3O4S/c25-21(28)20-16-8-3-4-10-19(16)32-23(20)26-22(29)17-12-14-6-1-2-7-15(14)13-27(17)24(30)18-9-5-11-31-18/h1-2,5-7,9,11,17H,3-4,8,10,12-13H2,(H2,25,28)(H,26,29)