N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-methyl-2-phenyl-thiazole-5-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methyl-2-phenyl-5-thiazolecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-methyl-2-phenyl-thiazole-5-carboxamide Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H21BrN2O3S/c1-13-19(28-21(24-13)14-7-5-4-6-8-14)20(25)23-10-9-15-11-17(26-2)18(27-3)12-16(15)22/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)