(E)-N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-pyridin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-N-[2-[4-(2-methoxyethoxy)-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[2-[4-(2-methoxyethoxy)-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[4-(2-methoxyethoxy)-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-3-(2-pyridyl)acrylamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C=CC2=CC=CC=N2)OCCOC

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC=CC=N2)OCCOC

InChI

InChI=1S/C21H26N4O5S2/c1-22-21(31)25-32(27,28)19-15-16(6-8-18(19)30-14-13-29-2)10-12-24-20(26)9-7-17-5-3-4-11-23-17/h3-9,11,15H,10,12-14H2,1-2H3,(H,24,26)(H2,22,25,31)/b9-7+