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

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(3-bromophenyl)methyl-[(2-fluoroanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-bromobenzyl)-[(2-fluorophenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C22H23BrFN2O2S- MolecularWeight: 478.397623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)C(=S)NC3=CC=CC=C3F)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CN(CC2=CC(=CC=C2)Br)C(=S)NC3=CC=CC=C3F)C(=O)[O-]

InChI

InChI=1S/C22H24BrFN2O2S/c23-18-5-3-4-16(12-18)14-26(13-15-8-10-17(11-9-15)21(27)28)22(29)25-20-7-2-1-6-19(20)24/h1-7,12,15,17H,8-11,13-14H2,(H,25,29)(H,27,28)/p-1