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

Systemtic Name: 4-[[(4-chloranyl-2-methoxy-5-methyl-phenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-chloro-2-methoxy-5-methyl-phenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(4-chloro-2-methoxy-5-methylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-chloro-2-methoxy-5-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-chloro-2-methoxy-5-methyl-phenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C25H31ClN2O3S MolecularWeight: 475.04324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN2O3S/c1-16-6-4-5-7-20(16)15-28(14-18-8-10-19(11-9-18)24(29)30)25(32)27-22-12-17(2)21(26)13-23(22)31-3/h4-7,12-13,18-19H,8-11,14-15H2,1-3H3,(H,27,32)(H,29,30)