N-[2-chloranyl-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioate

Systemtic Name: N-[2-chloranyl-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioate Openeye Name: N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]carbamothioate CAS Name: N-[2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]carbamothioate IUPAC Name: N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioate Traditional Name: N-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl]thiocarbamate Formula: C17H13ClN3O4S- MolecularWeight: 390.82082

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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)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC(=C(C=C3)NC(=S)[O-])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)/p-1