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

Systemtic Name: 3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-2-(m-tolylmethylsulfanyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-2-[(3-methylphenyl)methylthio]-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-4-keto-2-[(3-methylbenzyl)thio]-N-propyl-quinazoline-7-carboxamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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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)C)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O2S/c1-3-12-28-24(31)19-10-11-22-23(14-19)29-26(33-16-18-7-4-6-17(2)13-18)30(25(22)32)21-9-5-8-20(27)15-21/h4-11,13-15H,3,12,16H2,1-2H3,(H,28,31)