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

Systemtic Name: 3-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H24BrN3O2S MolecularWeight: 474.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-14-11-12-15(13-18(14)23)20(27)26-22(29)25-19-10-6-5-9-17(19)21(28)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,24,28)(H2,25,26,27,29)