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

Systemtic Name: 4-(chloromethyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]benzamide Openeye Name: 4-(chloromethyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]benzamide CAS Name: 4-(chloromethyl)-N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(chloromethyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]benzamide Traditional Name: 4-(chloromethyl)-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]benzamide Formula: C25H21ClN4O4S MolecularWeight: 508.97664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)CCl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)CCl)OC

InChI

InChI=1S/C25H21ClN4O4S/c1-32-21-11-19-20(12-22(21)33-2)27-14-28-24(19)34-18-9-7-17(8-10-18)29-25(35)30-23(31)16-5-3-15(13-26)4-6-16/h3-12,14H,13H2,1-2H3,(H2,29,30,31,35)