2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3-fluorophenyl)-N-isobutyl-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: 2-[(4-ethenylphenyl)methylthio]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(4-ethenylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3-fluorophenyl)-N-isobutyl-4-keto-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H26FN3O2S MolecularWeight: 487.588343

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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=C(C=C3)C=C)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C28H26FN3O2S/c1-4-19-8-10-20(11-9-19)17-35-28-31-25-14-21(26(33)30-16-18(2)3)12-13-24(25)27(34)32(28)23-7-5-6-22(29)15-23/h4-15,18H,1,16-17H2,2-3H3,(H,30,33)