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

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-chlorophenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-chloro-phenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C19H19BrClN3O4S2 MolecularWeight: 532.85886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H19BrClN3O4S2/c20-13-3-8-17(16(21)11-13)28-12-18(25)23-19(29)22-14-4-6-15(7-5-14)30(26,27)24-9-1-2-10-24/h3-8,11H,1-2,9-10,12H2,(H2,22,23,25,29)