4-[[(3-bromophenyl)methyl-[(2,5-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(2,5-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-[(2,5-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(2,5-dimethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-[(2,5-dimethylphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C24H29BrN2O2S MolecularWeight: 489.46826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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