4-[[(4-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoate

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(4-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-[(2-ethylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-bromophenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-[(2-ethylphenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C24H22BrN2O2S- MolecularWeight: 482.41268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H23BrN2O2S/c1-2-19-5-3-4-6-22(19)26-24(30)27(16-18-9-13-21(25)14-10-18)15-17-7-11-20(12-8-17)23(28)29/h3-14H,2,15-16H2,1H3,(H,26,30)(H,28,29)/p-1