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

Systemtic Name: 1-[2-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-2-[(2,5-difluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-2-[(2,5-difluorophenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-2-[(2,5-difluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-2-[(2,5-difluorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H30F2N4O3S MolecularWeight: 540.624606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=C(C=CC(=C5)F)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=C(C=CC(=C5)F)F

InChI

InChI=1S/C28H30F2N4O3S/c29-20-7-9-23(30)19(14-20)16-38-28-32-24-15-18(26(36)33-12-10-17(11-13-33)25(31)35)6-8-22(24)27(37)34(28)21-4-2-1-3-5-21/h6-9,14-15,17,21H,1-5,10-13,16H2,(H2,31,35)