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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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