N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromanylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromanylphenoxy)-2-methyl-propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromophenoxy)-2-methyl-propanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-bromophenoxy)-2-methylpropanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-bromophenoxy)-2-methylpropanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-2-(4-bromophenoxy)-2-methyl-propionamide Formula: C24H21BrN2O2S MolecularWeight: 481.40474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C(C)(C)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C(C)(C)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O2S/c1-15-14-16(22-26-20-6-4-5-7-21(20)30-22)8-13-19(15)27-23(28)24(2,3)29-18-11-9-17(25)10-12-18/h4-14H,1-3H3,(H,27,28)