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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[[4-[(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)OC3=CC=C(C=C3)NC(=S)NC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)N4CCC5=CC=CC=C5C4

InChI

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