4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(4-chlorobenzyl)-[(2-methoxyphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H27ClN2O3S MolecularWeight: 446.99008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-29-21-5-3-2-4-20(21)25-23(30)26(15-17-8-12-19(24)13-9-17)14-16-6-10-18(11-7-16)22(27)28/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,25,30)(H,27,28)