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

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

Systemtic Name:4-[[(3-bromophenyl)methyl-[(2-chlorophenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid
Openeye Name:4-[[(3-bromophenyl)methyl-[(2-chlorophenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid
CAS Name:4-[[(3-bromophenyl)methyl-[(2-chloroanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid
IUPAC Name:4-[[(3-bromophenyl)methyl-[(2-chlorophenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid
Traditional Name:4-[[(3-bromobenzyl)-[(2-chlorophenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid
Formula: C22H24BrClN2O2S
MolecularWeight: 495.86016
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)C(=S)NC3=CC=CC=C3Cl)C(=O)O


Isomeric SMILES

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)C(=S)NC3=CC=CC=C3Cl)C(=O)O


InChI

InChI=1S/C22H24BrClN2O2S/c23-18-5-3-4-16(12-18)14-26(13-15-8-10-17(11-9-15)21(27)28)22(29)25-20-7-2-1-6-19(20)24/h1-7,12,15,17H,8-11,13-14H2,(H,25,29)(H,27,28)


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