N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC=CC=C3)C(=S)NC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC=CC=C3)C(=S)NC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H26N4O4S/c1-34-25-16-22-23(17-26(25)35-2)29-14-12-24(22)36-32(21-10-4-3-5-11-21)28(37)30-27(33)31-15-13-19-8-6-7-9-20(19)18-31/h3-12,14,16-17H,13,15,18H2,1-2H3,(H,30,33,37)