2-phenacylsulfanyl-3-(phenylmethyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-(phenylmethyl)-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-benzyl-2-phenacylsulfanyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 7-[oxo(1-piperidinyl)methyl]-2-(phenacylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-phenacylsulfanyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-benzyl-2-(phenacylthio)-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3S/c33-26(22-12-6-2-7-13-22)20-36-29-30-25-18-23(27(34)31-16-8-3-9-17-31)14-15-24(25)28(35)32(29)19-21-10-4-1-5-11-21/h1-2,4-7,10-15,18H,3,8-9,16-17,19-20H2