3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-4-keto-2-(m-anisylthio)-N-propyl-quinazoline-7-carboxamide Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)C4=CC(=CC=C4)F

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)OC)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H24FN3O3S/c1-3-12-28-24(31)18-10-11-22-23(14-18)29-26(34-16-17-6-4-9-21(13-17)33-2)30(25(22)32)20-8-5-7-19(27)15-20/h4-11,13-15H,3,12,16H2,1-2H3,(H,28,31)