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

Systemtic Name: 4-[[(5-chloranyl-2-methoxy-phenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(5-chloro-2-methoxy-phenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(5-chloro-2-methoxyphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(5-chloro-2-methoxy-phenyl)thiocarbamoyl-p-anisyl-amino]methyl]cyclohexanecarboxylic acid Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2CCC(CC2)C(=O)O)C(=S)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C24H29ClN2O4S/c1-30-20-10-5-17(6-11-20)15-27(14-16-3-7-18(8-4-16)23(28)29)24(32)26-21-13-19(25)9-12-22(21)31-2/h5-6,9-13,16,18H,3-4,7-8,14-15H2,1-2H3,(H,26,32)(H,28,29)