4-(2-bromanyl-4-propan-2-yl-phenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(2-bromanyl-4-propan-2-yl-phenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(2-bromo-4-isopropyl-phenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(4-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butyramide Formula: C22H22BrN3O4S MolecularWeight: 504.39678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C22H22BrN3O4S/c1-14(2)16-7-10-20(18(23)12-16)30-11-3-4-21(27)25-22-24-19(13-31-22)15-5-8-17(9-6-15)26(28)29/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25,27)