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

Systemtic Name: 2-phenacylsulfanyl-3-(phenylmethyl)-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 3-benzyl-2-phenacylsulfanyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one CAS Name: 7-[oxo(1-pyrrolidinyl)methyl]-2-(phenacylthio)-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-phenacylsulfanyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Traditional Name: 3-benzyl-2-(phenacylthio)-7-(pyrrolidine-1-carbonyl)quinazolin-4-one Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C28H25N3O3S/c32-25(21-11-5-2-6-12-21)19-35-28-29-24-17-22(26(33)30-15-7-8-16-30)13-14-23(24)27(34)31(28)18-20-9-3-1-4-10-20/h1-6,9-14,17H,7-8,15-16,18-19H2