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

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acrylamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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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=CC=C3Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O3S2/c21-18-6-2-1-5-15(18)7-12-19(25)23-20(28)22-16-8-10-17(11-9-16)29(26,27)24-13-3-4-14-24/h1-2,5-12H,3-4,13-14H2,(H2,22,23,25,28)/b12-7+