3-(3,5-dimethylphenyl)-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O2S/c1-20-17-21(2)19-24(18-20)33-28(35)25-11-7-8-12-26(25)30-29(33)36-22(3)27(34)32-15-13-31(14-16-32)23-9-5-4-6-10-23/h4-12,17-19,22H,13-16H2,1-3H3