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

Systemtic Name: 1-(3-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-quinazolin-7-yl)carbonylpiperidine-4-carboxamide Openeye Name: 1-(3-cyclohexyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carbonyl)piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-4-oxo-2-(phenacylthio)-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-cyclohexyl-4-oxo-2-phenacylsulfanylquinazoline-7-carbonyl)piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-4-keto-2-(phenacylthio)quinazoline-7-carbonyl]isonipecotamide Formula: C29H32N4O4S MolecularWeight: 532.65378

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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=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H32N4O4S/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/h1,3-4,7-8,11-12,17,20,22H,2,5-6,9-10,13-16,18H2,(H2,30,35)