4-[[(3-bromophenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[(4-methoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-[(4-methoxyphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C23H27BrN2O3S MolecularWeight: 491.44108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H27BrN2O3S/c1-29-21-11-9-20(10-12-21)25-23(30)26(15-17-3-2-4-19(24)13-17)14-16-5-7-18(8-6-16)22(27)28/h2-4,9-13,16,18H,5-8,14-15H2,1H3,(H,25,30)(H,27,28)