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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC(=CC=C3)Br

InChI

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