3-(2-bromophenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide

Systemtic Name: 3-(2-bromophenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide Openeye Name: 3-(2-bromophenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide CAS Name: 3-[(2-bromophenyl)thio]-N-(3,4,5-trimethoxyphenyl)propanamide IUPAC Name: 3-(2-bromophenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide Traditional Name: 3-[(2-bromophenyl)thio]-N-(3,4,5-trimethoxyphenyl)propionamide Formula: C18H20BrNO4S MolecularWeight: 426.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCSC2=CC=CC=C2Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCSC2=CC=CC=C2Br

InChI

InChI=1S/C18H20BrNO4S/c1-22-14-10-12(11-15(23-2)18(14)24-3)20-17(21)8-9-25-16-7-5-4-6-13(16)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)