2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-cyclopropyl-ethanamide Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-N-cyclopropyl-acetamide CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-N-cyclopropylacetamide IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-N-cyclopropyl-acetamide Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSCC(=O)NC2CC2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSCC(=O)NC2CC2)Br)OC

InChI

InChI=1S/C14H18BrNO3S/c1-18-12-5-9(11(15)6-13(12)19-2)7-20-8-14(17)16-10-3-4-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,17)