N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-bromo-4,5-dimethoxy-phenyl)acetamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-bromo-4,5-dimethoxy-phenyl)acetamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NCCCC2=NC3=CC=CC=C3S2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NCCCC2=NC3=CC=CC=C3S2)Br)OC

InChI

InChI=1S/C20H21BrN2O3S/c1-25-16-10-13(14(21)12-17(16)26-2)11-19(24)22-9-5-8-20-23-15-6-3-4-7-18(15)27-20/h3-4,6-7,10,12H,5,8-9,11H2,1-2H3,(H,22,24)