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

Systemtic Name: 1-(4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazolin-7-yl)carbonylpiperidine-4-carboxamide Openeye Name: 1-(4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-[4-keto-2-(phenacylthio)-3-phenyl-quinazoline-7-carbonyl]isonipecotamide Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O4S/c30-26(35)20-13-15-32(16-14-20)27(36)21-11-12-23-24(17-21)31-29(33(28(23)37)22-9-5-2-6-10-22)38-18-25(34)19-7-3-1-4-8-19/h1-12,17,20H,13-16,18H2,(H2,30,35)