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

Systemtic Name: 3-(4-methoxyphenyl)-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-methoxyphenyl)-2-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-2-[[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-methoxyphenyl)-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(o-tolyl)piperazino]ethyl]thio]-3-(4-methoxyphenyl)quinazolin-4-one Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H28N4O3S/c1-20-7-3-6-10-25(20)30-15-17-31(18-16-30)26(33)19-36-28-29-24-9-5-4-8-23(24)27(34)32(28)21-11-13-22(35-2)14-12-21/h3-14H,15-19H2,1-2H3