4-[[(3-bromophenyl)methyl-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-[(5-chloro-2-methoxy-phenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(5-chloro-2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H26BrClN2O3S MolecularWeight: 525.88614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H26BrClN2O3S/c1-30-21-10-9-19(25)12-20(21)26-23(31)27(14-16-3-2-4-18(24)11-16)13-15-5-7-17(8-6-15)22(28)29/h2-4,9-12,15,17H,5-8,13-14H2,1H3,(H,26,31)(H,28,29)