4-[[(2-fluorophenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(2-fluorophenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(2-fluorophenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(2-fluoroanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(2-fluorophenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(2-fluorophenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylic acid Formula: C23H27FN2O2S MolecularWeight: 414.536083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C23H27FN2O2S/c1-16-6-2-3-7-19(16)15-26(14-17-10-12-18(13-11-17)22(27)28)23(29)25-21-9-5-4-8-20(21)24/h2-9,17-18H,10-15H2,1H3,(H,25,29)(H,27,28)