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

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-3-(3,4-dimethylphenyl)quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O2S/c1-21-12-13-24(18-22(21)2)33-28(35)25-10-6-7-11-26(25)30-29(33)36-20-27(34)32-16-14-31(15-17-32)19-23-8-4-3-5-9-23/h3-13,18H,14-17,19-20H2,1-2H3