3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-7-chloranyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-7-chloro-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C28H27ClN2O2S MolecularWeight: 491.04418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O2S/c1-5-18(3)20-8-11-22(12-9-20)31-27(33)23-13-10-21(29)15-25(23)30-28(31)34-16-26(32)24-14-17(2)6-7-19(24)4/h6-15,18H,5,16H2,1-4H3