2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C21H23Br2N3O4S2 MolecularWeight: 605.36302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br)Br

InChI

InChI=1S/C21H23Br2N3O4S2/c1-14-11-15(22)12-18(23)20(14)30-13-19(27)25-21(31)24-16-5-7-17(8-6-16)32(28,29)26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,24,25,27,31)