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

Systemtic Name: 3-(3-fluorophenyl)-N-methyl-4-oxidanylidene-N-(phenylmethyl)-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-benzylsulfanyl-3-(3-fluorophenyl)-N-methyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3-fluorophenyl)-N-methyl-4-oxo-N-(phenylmethyl)-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-benzylsulfanyl-3-(3-fluorophenyl)-N-methyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-(benzylthio)-3-(3-fluorophenyl)-4-keto-N-methyl-quinazoline-7-carboxamide Formula: C30H24FN3O2S MolecularWeight: 509.593863

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C30H24FN3O2S/c1-33(19-21-9-4-2-5-10-21)28(35)23-15-16-26-27(17-23)32-30(37-20-22-11-6-3-7-12-22)34(29(26)36)25-14-8-13-24(31)18-25/h2-18H,19-20H2,1H3