3-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(butylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-3-4-11-22-19(26)15-7-5-6-8-17(15)23-20(27)24-18(25)14-10-9-13(2)16(21)12-14/h5-10,12H,3-4,11H2,1-2H3,(H,22,26)(H2,23,24,25,27)