3-(3-chloranyl-4-fluoranyl-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-N-homoveratryl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H21ClFN3O4S MolecularWeight: 513.968343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)OC

InChI

InChI=1S/C25H21ClFN3O4S/c1-33-21-8-3-14(11-22(21)34-2)9-10-28-23(31)15-4-6-17-20(12-15)29-25(35)30(24(17)32)16-5-7-19(27)18(26)13-16/h3-8,11-13H,9-10H2,1-2H3,(H,28,31)(H,29,35)