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

Systemtic Name: 3-pentyl-2-phenacylsulfanyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-pentyl-2-phenacylsulfanyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 7-[oxo(1-piperidinyl)methyl]-3-pentyl-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-pentyl-2-phenacylsulfanyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-amyl-2-(phenacylthio)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCC3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCCCC3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-2-3-8-17-30-26(33)22-14-13-21(25(32)29-15-9-5-10-16-29)18-23(22)28-27(30)34-19-24(31)20-11-6-4-7-12-20/h4,6-7,11-14,18H,2-3,5,8-10,15-17,19H2,1H3