(E)-3-(4-methylphenyl)-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(p-tolyl)-N-[[4-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[4-(2-oxolanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(p-tolyl)-N-[[4-(tetrahydrofurfurylsulfamoyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C22H25N3O4S2/c1-16-4-6-17(7-5-16)8-13-21(26)25-22(30)24-18-9-11-20(12-10-18)31(27,28)23-15-19-3-2-14-29-19/h4-13,19,23H,2-3,14-15H2,1H3,(H2,24,25,26,30)/b13-8+