(3S)-2-(2-thiophen-2-ylquinolin-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(2-thiophen-2-ylquinolin-4-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-(2-thienyl)quinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(2-thiophen-2-ylquinoline-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-(2-thienyl)quinoline-4-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C(=O)N

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C(=O)N

InChI

InChI=1S/C24H19N3O2S/c25-23(28)21-12-15-6-1-2-7-16(15)14-27(21)24(29)18-13-20(22-10-5-11-30-22)26-19-9-4-3-8-17(18)19/h1-11,13,21H,12,14H2,(H2,25,28)/t21-/m0/s1