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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(m-tolyl)piperazino]ethyl]thio]-3-(4-methylbenzyl)quinazolin-4-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC(=C5)C

InChI

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