N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C25H22N4O5S/c1-31-20-7-5-4-6-17(20)23(30)29-25(35)28-15-8-10-16(11-9-15)34-24-18-12-21(32-2)22(33-3)13-19(18)26-14-27-24/h4-14H,1-3H3,(H2,28,29,30,35)