3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)-5-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]quinazolin-4-one

Systemtic Name: 3-(phenylcarbonyl)-2-(phenylmethylsulfanyl)-5-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]quinazolin-4-one Openeye Name: 3-benzoyl-2-benzylsulfanyl-5-[2-[4-(1-piperidyl)-1-piperidyl]ethoxy]quinazolin-4-one CAS Name: 3-benzoyl-2-(phenylmethylthio)-5-[2-[4-(1-piperidinyl)-1-piperidinyl]ethoxy]-4-quinazolinone IUPAC Name: 3-benzoyl-2-benzylsulfanyl-5-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]quinazolin-4-one Traditional Name: 3-benzoyl-2-(benzylthio)-5-[2-(4-piperidinopiperidino)ethoxy]quinazolin-4-one Formula: C34H38N4O3S MolecularWeight: 582.75552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)CCOC3=CC=CC4=C3C(=O)N(C(=N4)SCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)CCOC3=CC=CC4=C3C(=O)N(C(=N4)SCC5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H38N4O3S/c39-32(27-13-6-2-7-14-27)38-33(40)31-29(35-34(38)42-25-26-11-4-1-5-12-26)15-10-16-30(31)41-24-23-36-21-17-28(18-22-36)37-19-8-3-9-20-37/h1-2,4-7,10-16,28H,3,8-9,17-25H2