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

Systemtic Name: 4-[[(5-chloranyl-2-methoxy-phenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(5-chloro-2-methoxy-phenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(5-chloro-2-methoxyphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(5-chloro-2-methoxy-phenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C24H29ClN2O3S MolecularWeight: 461.01666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C24H29ClN2O3S/c1-16-5-3-4-6-19(16)15-27(14-17-7-9-18(10-8-17)23(28)29)24(31)26-21-13-20(25)11-12-22(21)30-2/h3-6,11-13,17-18H,7-10,14-15H2,1-2H3,(H,26,31)(H,28,29)