3-(2,6-dimethylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,6-dimethylphenyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,6-dimethylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-20-9-8-10-21(2)26(20)32-27(34)23-13-6-7-14-24(23)29-28(32)35-19-25(33)31-17-15-30(16-18-31)22-11-4-3-5-12-22/h3-14H,15-19H2,1-2H3