2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-N-veratryl-propionamide Formula: C21H26BrNO5S MolecularWeight: 484.40384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H26BrNO5S/c1-13(29-12-15-9-19(27-4)20(28-5)10-16(15)22)21(24)23-11-14-6-7-17(25-2)18(8-14)26-3/h6-10,13H,11-12H2,1-5H3,(H,23,24)