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

Systemtic Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-N-[2-[4-methoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[4-methoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-3-(2-pyridyl)acrylamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S2/c1-20-19(28)23-29(25,26)17-13-14(6-8-16(17)27-2)10-12-22-18(24)9-7-15-5-3-4-11-21-15/h3-9,11,13H,10,12H2,1-2H3,(H,22,24)(H2,20,23,28)/b9-7+