1-(4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazolin-7-yl)carbonylpiperidine-4-carboxamide

Systemtic Name: 1-(4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazolin-7-yl)carbonylpiperidine-4-carboxamide Openeye Name: 1-(4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-[3-amyl-4-keto-2-(phenacylthio)quinazoline-7-carbonyl]isonipecotamide Formula: C28H32N4O4S MolecularWeight: 520.64308

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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=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4S/c1-2-3-7-14-32-27(36)22-11-10-21(26(35)31-15-12-20(13-16-31)25(29)34)17-23(22)30-28(32)37-18-24(33)19-8-5-4-6-9-19/h4-6,8-11,17,20H,2-3,7,12-16,18H2,1H3,(H2,29,34)