N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-bromophenyl)amino]-N-methyl-ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[(4-bromophenyl)amino]-N-methyl-ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromoanilino)-N-methyl-acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromoanilino)-N-methylacetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromoanilino)-N-methylacetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4-bromoanilino)-N-methyl-acetamide Formula: C18H18BrN3OS MolecularWeight: 404.32402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CNC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3OS/c1-12(18-21-15-5-3-4-6-16(15)24-18)22(2)17(23)11-20-14-9-7-13(19)8-10-14/h3-10,12,20H,11H2,1-2H3/t12-/m1/s1