2-phenacylsulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-phenacylsulfanyl-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-(phenacylthio)-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-phenacylsulfanyl-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-(phenacylthio)-6-piperidino-quinazolin-4-one Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O2S/c32-26(22-12-6-2-7-13-22)20-34-28-29-25-15-14-23(30-16-8-3-9-17-30)18-24(25)27(33)31(28)19-21-10-4-1-5-11-21/h1-2,4-7,10-15,18H,3,8-9,16-17,19-20H2