(E)-3-(4-ethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-p-phenetyl-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H25N3O4S2/c1-2-29-19-10-5-17(6-11-19)7-14-21(26)24-22(30)23-18-8-12-20(13-9-18)31(27,28)25-15-3-4-16-25/h5-14H,2-4,15-16H2,1H3,(H2,23,24,26,30)/b14-7+