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

Systemtic Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-N-methyl-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-N-methyl-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[4-methoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-N-methyl-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-N-methyl-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[4-methoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-N-methyl-3-phenyl-acrylamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCN(C)C(=O)C=CC2=CC=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S2/c1-22-21(29)23-30(26,27)19-15-17(9-11-18(19)28-3)13-14-24(2)20(25)12-10-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H2,22,23,29)/b12-10+