2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C21H24BrN3O4S2 MolecularWeight: 526.46696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C21H24BrN3O4S2/c1-2-15-5-10-19(18(22)13-15)29-14-20(26)24-21(30)23-16-6-8-17(9-7-16)31(27,28)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3,(H2,23,24,26,30)