4-[[(3-bromophenyl)methyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-bromophenyl)methyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-bromophenyl)methyl-[(2-ethyl-6-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C25H30BrN2O2S- MolecularWeight: 502.4869

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN2O2S/c1-3-20-8-4-6-17(2)23(20)27-25(31)28(16-19-7-5-9-22(26)14-19)15-18-10-12-21(13-11-18)24(29)30/h4-9,14,18,21H,3,10-13,15-16H2,1-2H3,(H,27,31)(H,29,30)/p-1