N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-cyclopropane-1-carboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-cyclopropane-1-carboxamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-cyclopropanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methyl-1-cyclopropanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methylcyclopropane-1-carboxamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-2-methyl-cyclopropanecarboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1CC1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C22H22N4O4S/c1-12-8-15(12)20(27)26-22(31)25-13-4-6-14(7-5-13)30-21-16-9-18(28-2)19(29-3)10-17(16)23-11-24-21/h4-7,9-12,15H,8H2,1-3H3,(H2,25,26,27,31)