1-[2-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-2-[(2,5-difluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(2,5-difluorophenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2,5-difluorophenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-2-[(2,5-difluorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C25H24F2N4O3S MolecularWeight: 498.544866

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=C(C=CC(=C4)F)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=C(C=CC(=C4)F)F

InChI

InChI=1S/C25H24F2N4O3S/c1-2-9-31-24(34)19-5-3-16(23(33)30-10-7-15(8-11-30)22(28)32)13-21(19)29-25(31)35-14-17-12-18(26)4-6-20(17)27/h2-6,12-13,15H,1,7-11,14H2,(H2,28,32)