2-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

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