3-(4-butan-2-ylphenyl)-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H28N2O2S/c1-5-19(3)21-12-14-22(15-13-21)30-27(32)23-8-6-7-9-25(23)29-28(30)33-17-26(31)24-16-18(2)10-11-20(24)4/h6-16,19H,5,17H2,1-4H3