4-[[(3-bromophenyl)methyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(3-methylsulfanylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-[[3-(methylthio)phenyl]thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H27BrN2O2S2 MolecularWeight: 507.50668

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H27BrN2O2S2/c1-30-21-7-3-6-20(13-21)25-23(29)26(15-17-4-2-5-19(24)12-17)14-16-8-10-18(11-9-16)22(27)28/h2-7,12-13,16,18H,8-11,14-15H2,1H3,(H,25,29)(H,27,28)