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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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