3-cyclohexyl-2-phenacylsulfanyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-2-phenacylsulfanyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 3-cyclohexyl-7-[oxo(1-piperidinyl)methyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-2-phenacylsulfanyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-2-(phenacylthio)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c32-25(20-10-4-1-5-11-20)19-35-28-29-24-18-21(26(33)30-16-8-3-9-17-30)14-15-23(24)27(34)31(28)22-12-6-2-7-13-22/h1,4-5,10-11,14-15,18,22H,2-3,6-9,12-13,16-17,19H2