3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: 3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-3-(3-fluorophenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O2S/c1-17(2)15-28-24(31)19-11-12-22-23(13-19)29-26(33-16-18-7-4-3-5-8-18)30(25(22)32)21-10-6-9-20(27)14-21/h3-14,17H,15-16H2,1-2H3,(H,28,31)