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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC)C

InChI

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