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

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C20H21Br2N3O4S2 MolecularWeight: 591.33644

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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)N3CCCC3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Br)Br

InChI

InChI=1S/C20H21Br2N3O4S2/c1-13-10-14(21)11-17(22)19(13)29-12-18(26)24-20(30)23-15-4-6-16(7-5-15)31(27,28)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H2,23,24,26,30)