2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H24N2O2S/c1-4-16-9-11-17(12-10-16)20(25)14-27-22-23-19-8-6-5-7-18(19)21(26)24(22)13-15(2)3/h5-12,15H,4,13-14H2,1-3H3