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

Systemtic Name: 4-[[(4-methoxyphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(4-methoxyphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(4-methoxyphenyl)methyl-[(4-phenoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(4-methoxyphenyl)methyl-[(4-phenoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[p-anisyl-[(4-phenoxyphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4S/c1-34-25-15-9-22(10-16-25)20-31(19-21-7-11-23(12-8-21)28(32)33)29(36)30-24-13-17-27(18-14-24)35-26-5-3-2-4-6-26/h2-6,9-10,13-18,21,23H,7-8,11-12,19-20H2,1H3,(H,30,36)(H,32,33)