S-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] benzenecarbothioate

Systemtic Name: S-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl] benzenecarbothioate Openeye Name: S-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl] ester IUPAC Name: S-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl] ester Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)SC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H15ClFN3O2S/c1-29-19-11-18-15(10-20(19)30-22(28)13-5-3-2-4-6-13)21(26-12-25-18)27-14-7-8-17(24)16(23)9-14/h2-12H,1H3,(H,25,26,27)