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

Systemtic Name: (E)-N-[2-[3-(methylcarbamothioylsulfamoyl)-4-phenethyloxy-phenyl]ethyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-[3-(methylcarbamothioylsulfamoyl)-4-phenethyloxy-phenyl]ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-phenethyloxyphenyl]ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-[3-(methylcarbamothioylsulfamoyl)-4-phenethyloxyphenyl]ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-[3-(methylthiocarbamoylsulfamoyl)-4-phenethyloxy-phenyl]ethyl]-3-(2-thienyl)acrylamide Formula: C25H27N3O4S3 MolecularWeight: 529.69458

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC=CS2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4S3/c1-26-25(33)28-35(30,31)23-18-20(13-15-27-24(29)12-10-21-8-5-17-34-21)9-11-22(23)32-16-14-19-6-3-2-4-7-19/h2-12,17-18H,13-16H2,1H3,(H,27,29)(H2,26,28,33)/b12-10+