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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-N-(3-morpholinopropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-N-[3-(4-morpholinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-(3-morpholinopropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22ClFN4O3S MolecularWeight: 476.951483

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O3S/c23-17-13-15(3-5-18(17)24)28-21(30)16-4-2-14(12-19(16)26-22(28)32)20(29)25-6-1-7-27-8-10-31-11-9-27/h2-5,12-13H,1,6-11H2,(H,25,29)(H,26,32)