3-(1,3-benzodioxol-5-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-[[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N4O5S/c1-35-23-9-5-4-8-22(23)30-12-14-31(15-13-30)26(33)17-38-28-29-21-7-3-2-6-20(21)27(34)32(28)19-10-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3