2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 2-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanylpropanamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 2-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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=C2SC(C)C(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)N

InChI

InChI=1S/C21H22ClN3O2S/c1-4-12(2)14-5-8-16(9-6-14)25-20(27)17-10-7-15(22)11-18(17)24-21(25)28-13(3)19(23)26/h5-13H,4H2,1-3H3,(H2,23,26)