2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 3-isopentyl-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 3-isoamyl-2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H24N2O3S/c1-15(2)11-12-24-21(26)18-9-4-5-10-19(18)23-22(24)28-14-20(25)16-7-6-8-17(13-16)27-3/h4-10,13,15H,11-12,14H2,1-3H3