N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromanylphenoxy)-2-methyl-propanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromanylphenoxy)-2-methyl-propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromophenoxy)-2-methyl-propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromophenoxy)-2-methylpropanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromophenoxy)-2-methylpropanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-bromophenoxy)-2-methyl-propionamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-11(24)21-13-6-9-15-16(10-13)27-18(22-15)23-17(25)19(2,3)26-14-7-4-12(20)5-8-14/h4-10H,1-3H3,(H,21,24)(H,22,23,25)