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

Systemtic Name: 3-(4-methoxyphenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-methoxyphenyl)-2-[2-oxo-2-[4-(p-tolyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-methoxyphenyl)-2-[[2-[4-(4-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-methoxyphenyl)-2-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(p-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=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)OC

InChI

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