N-(4-bromanyl-3-methyl-phenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H22BrN3O2S MolecularWeight: 460.38728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C)Br

InChI

InChI=1S/C21H22BrN3O2S/c1-12(2)25-20(27)16-7-5-6-8-18(16)24-21(25)28-14(4)19(26)23-15-9-10-17(22)13(3)11-15/h5-12,14H,1-4H3,(H,23,26)