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

Systemtic Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[4-methoxy-3-[[methylamino(sulfanylidene)methyl]sulfamoyl]phenyl]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-[4-methoxy-3-(methylcarbamothioylsulfamoyl)phenyl]ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[4-methoxy-3-(methylthiocarbamoylsulfamoyl)phenyl]ethyl]-3-(2-thienyl)acrylamide Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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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=CS2)OC

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC=CS2)OC

InChI

InChI=1S/C18H21N3O4S3/c1-19-18(26)21-28(23,24)16-12-13(5-7-15(16)25-2)9-10-20-17(22)8-6-14-4-3-11-27-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H2,19,21,26)/b8-6+