1-[4-oxidanylidene-2-(oxolan-2-ylmethylsulfanyl)-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[4-oxidanylidene-2-(oxolan-2-ylmethylsulfanyl)-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-oxo-3-pentyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-2-(2-oxolanylmethylthio)-3-pentyl-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-oxo-2-(oxolan-2-ylmethylsulfanyl)-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-4-keto-2-(tetrahydrofurfurylthio)quinazoline-7-carbonyl]isonipecotamide Formula: C25H34N4O4S MolecularWeight: 486.62686

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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=C1SCC4CCCO4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4CCCO4

InChI

InChI=1S/C25H34N4O4S/c1-2-3-4-11-29-24(32)20-8-7-18(23(31)28-12-9-17(10-13-28)22(26)30)15-21(20)27-25(29)34-16-19-6-5-14-33-19/h7-8,15,17,19H,2-6,9-14,16H2,1H3,(H2,26,30)