N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(3-thienylmethylsulfanyl)benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(3-thiophenylmethylthio)benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(thiophen-3-ylmethylsulfanyl)benzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(3-thenylthio)benzamide Formula: C22H22BrNO3S2 MolecularWeight: 492.44898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=CC=C2SCC3=CSC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=CC=C2SCC3=CSC=C3)Br)OC

InChI

InChI=1S/C22H22BrNO3S2/c1-26-19-11-16(18(23)12-20(19)27-2)7-9-24-22(25)17-5-3-4-6-21(17)29-14-15-8-10-28-13-15/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,24,25)