3-(3-bromanyl-4-methoxy-phenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O2S/c1-27-21-10-4-16(13-20(21)23)5-11-22(26)25-18-6-8-19(9-7-18)28-15-17-3-2-12-24-14-17/h2-4,6-10,12-14H,5,11,15H2,1H3,(H,25,26)