2-(2-chloranylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-chloranylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(2-chlorophenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2-chlorophenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C19H20ClN3O4S2 MolecularWeight: 453.9628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C19H20ClN3O4S2/c20-16-5-1-2-6-17(16)27-13-18(24)22-19(28)21-14-7-9-15(10-8-14)29(25,26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-13H2,(H2,21,22,24,28)