3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-(3-morpholinopropyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[3-(4-morpholinyl)propyl]-4-oxo-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-4-keto-N-(3-morpholinopropyl)-2-(phenacylthio)quinazoline-7-carboxamide Formula: C30H29FN4O4S MolecularWeight: 560.639063

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H29FN4O4S/c31-23-8-10-24(11-9-23)35-29(38)25-12-7-22(28(37)32-13-4-14-34-15-17-39-18-16-34)19-26(25)33-30(35)40-20-27(36)21-5-2-1-3-6-21/h1-3,5-12,19H,4,13-18,20H2,(H,32,37)