2-[2,4-bis(bromanyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[2,4-bis(bromanyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,4-dibromophenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2,4-dibromophenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromophenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2,4-dibromophenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C20H21Br2N3O4S2 MolecularWeight: 591.33644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C20H21Br2N3O4S2/c21-14-4-9-18(17(22)12-14)29-13-19(26)24-20(30)23-15-5-7-16(8-6-15)31(27,28)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H2,23,24,26,30)