N-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluoranyl-phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluoranyl-phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluoro-phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)amino]-3-fluoroanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluoro-phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C25H22FN5O3S MolecularWeight: 491.537283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F)OC

InChI

InChI=1S/C25H22FN5O3S/c1-33-21-12-17-20(13-22(21)34-2)27-14-28-24(17)30-19-9-8-16(11-18(19)26)29-25(35)31-23(32)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,27,28,30)(H2,29,31,32,35)