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

Systemtic Name: 3-(2,3-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2,3-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2,3-dimethylphenyl)-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(2,3-dimethylphenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(2,3-dimethylphenyl)-2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O3S/c1-20-7-6-10-26(21(20)2)33-28(35)24-8-4-5-9-25(24)30-29(33)37-19-27(34)32-17-15-31(16-18-32)22-11-13-23(36-3)14-12-22/h4-14H,15-19H2,1-3H3