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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[4-(1-pyrrolidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[(4-pyrrolidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C20H22BrN3O4S2 MolecularWeight: 512.44038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22BrN3O4S2/c1-14-12-15(21)4-9-18(14)28-13-19(25)23-20(29)22-16-5-7-17(8-6-16)30(26,27)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13H2,1H3,(H2,22,23,25,29)