(2R)-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromanylphenoxy)-N-methyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromanylphenoxy)-N-methyl-propanamide Openeye Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromophenoxy)-N-methyl-propanamide CAS Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromophenoxy)-N-methylpropanamide IUPAC Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromophenoxy)-N-methylpropanamide Traditional Name: (2R)-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-bromophenoxy)-N-methyl-propionamide Formula: C18H17BrN2O2S MolecularWeight: 405.30878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN2O2S/c1-12(23-14-9-7-13(19)8-10-14)18(22)21(2)11-17-20-15-5-3-4-6-16(15)24-17/h3-10,12H,11H2,1-2H3/t12-/m1/s1