N-(1,3-benzothiazol-2-yl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N3O3S/c26-20(24-22-23-16-8-3-4-10-19(16)29-22)17-12-14-6-1-2-7-15(14)13-25(17)21(27)18-9-5-11-28-18/h1-11,17H,12-13H2,(H,23,24,26)