3-(3-chloranyl-4-fluoranyl-phenyl)-N-(4-ethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(4-ethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-(4-ethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-p-phenetyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H17ClFN3O3S MolecularWeight: 469.915783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O3S/c1-2-31-16-7-4-14(5-8-16)26-21(29)13-3-9-17-20(11-13)27-23(32)28(22(17)30)15-6-10-19(25)18(24)12-15/h3-12H,2H2,1H3,(H,26,29)(H,27,32)