[2-chloranyl-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioic S-acid

Systemtic Name: [2-chloranyl-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioic S-acid Openeye Name: [2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioic S-acid CAS Name: [2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]carbamothioic S-acid IUPAC Name: [2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioic S-acid Traditional Name: [2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]thiocarbamic S-acid Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4S/c1-23-14-6-10-13(7-15(14)24-2)19-8-20-16(10)25-9-3-4-12(11(18)5-9)21-17(22)26/h3-8H,1-2H3,(H2,21,22,26)