3-(3,4-dimethoxyphenyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]propanamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]propanamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]propanamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]propanamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]propionamide Formula: C28H28N4O6S MolecularWeight: 548.61012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C28H28N4O6S/c1-34-22-11-5-17(13-23(22)35-2)6-12-26(33)32-28(39)31-18-7-9-19(10-8-18)38-27-20-14-24(36-3)25(37-4)15-21(20)29-16-30-27/h5,7-11,13-16H,6,12H2,1-4H3,(H2,31,32,33,39)