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

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-bromophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-[(2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-bromophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-[(2-methoxyphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C23H26BrN2O3S- MolecularWeight: 490.43314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC(=CC=C3)Br

InChI

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