4-[[(3-bromophenyl)methyl-[(2,6-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(2,6-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-[(2,6-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(2,6-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-[(2,6-dimethylphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C24H29BrN2O2S MolecularWeight: 489.46826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H29BrN2O2S/c1-16-5-3-6-17(2)22(16)26-24(30)27(15-19-7-4-8-21(25)13-19)14-18-9-11-20(12-10-18)23(28)29/h3-8,13,18,20H,9-12,14-15H2,1-2H3,(H,26,30)(H,28,29)