2-phenacylsulfanyl-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 2-phenacylsulfanyl-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-(phenacylthio)-3-phenethyl-4-quinazolinone IUPAC Name: 2-phenacylsulfanyl-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(phenacylthio)-3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C35H32N4O3S MolecularWeight: 588.71858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C35H32N4O3S/c40-32(27-12-6-2-7-13-27)25-43-35-36-31-24-28(33(41)38-22-20-37(21-23-38)29-14-8-3-9-15-29)16-17-30(31)34(42)39(35)19-18-26-10-4-1-5-11-26/h1-17,24H,18-23,25H2