2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H24N2O5S/c1-27-12-6-11-24-21(26)16-7-4-5-8-18(16)23-22(24)30-14-19(25)17-13-15(28-2)9-10-20(17)29-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3