4-[[(3-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-[(2-ethylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-[(2-ethylphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C24H28BrN2O2S- MolecularWeight: 488.46032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H29BrN2O2S/c1-2-19-7-3-4-9-22(19)26-24(30)27(16-18-6-5-8-21(25)14-18)15-17-10-12-20(13-11-17)23(28)29/h3-9,14,17,20H,2,10-13,15-16H2,1H3,(H,26,30)(H,28,29)/p-1