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

Systemtic Name: 1-[2-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(2,5-difluorophenyl)methylsulfanyl]-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(2,5-difluorophenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2,5-difluorophenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[(2,5-difluorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C27H30F2N4O3S MolecularWeight: 528.613906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=C(C=CC(=C4)F)F

Isomeric SMILES

CCCCCN1C(=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/C27H30F2N4O3S/c1-2-3-4-11-33-26(36)21-7-5-18(25(35)32-12-9-17(10-13-32)24(30)34)15-23(21)31-27(33)37-16-19-14-20(28)6-8-22(19)29/h5-8,14-15,17H,2-4,9-13,16H2,1H3,(H2,30,34)