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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NCCC1=CC(=C(C=C1)OC)S(=O)(=O)NC(=S)NC)C2=CC=CC=C2

Isomeric SMILES

C/C(=C\C(=O)NCCC1=CC(=C(C=C1)OC)S(=O)(=O)NC(=S)NC)/C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S2/c1-15(17-7-5-4-6-8-17)13-20(25)23-12-11-16-9-10-18(28-3)19(14-16)30(26,27)24-21(29)22-2/h4-10,13-14H,11-12H2,1-3H3,(H,23,25)(H2,22,24,29)/b15-13+