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

Systemtic Name: 2-phenacylsulfanyl-3-phenethyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-phenacylsulfanyl-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 7-[oxo(1-piperidinyl)methyl]-2-(phenacylthio)-3-phenethyl-4-quinazolinone IUPAC Name: 2-phenacylsulfanyl-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(phenacylthio)-3-phenethyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C30H29N3O3S MolecularWeight: 511.63456

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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)CCC5=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)CCC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3S/c34-27(23-12-6-2-7-13-23)21-37-30-31-26-20-24(28(35)32-17-8-3-9-18-32)14-15-25(26)29(36)33(30)19-16-22-10-4-1-5-11-22/h1-2,4-7,10-15,20H,3,8-9,16-19,21H2