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

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-[(3-chloro-4-methyl-phenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(3-chloro-4-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H26BrClN2O2S MolecularWeight: 509.88674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrClN2O2S/c1-15-5-10-20(12-21(15)25)26-23(30)27(14-17-3-2-4-19(24)11-17)13-16-6-8-18(9-7-16)22(28)29/h2-5,10-12,16,18H,6-9,13-14H2,1H3,(H,26,30)(H,28,29)