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

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S2/c25-19(12-5-15-3-8-17(9-4-15)24(26)27)22-20(30)21-16-6-10-18(11-7-16)31(28,29)23-13-1-2-14-23/h3-12H,1-2,13-14H2,(H2,21,22,25,30)/b12-5+