3-(2-methylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(o-tolyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-20-9-5-8-14-24(20)31-26(33)22-12-6-7-13-23(22)28-27(31)34-19-25(32)30-17-15-29(16-18-30)21-10-3-2-4-11-21/h2-14H,15-19H2,1H3