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

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(4-bromophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-[(2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-bromophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-[(2-methoxyphenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C23H20BrN2O3S- MolecularWeight: 484.3855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O3S/c1-29-21-5-3-2-4-20(21)25-23(30)26(15-17-8-12-19(24)13-9-17)14-16-6-10-18(11-7-16)22(27)28/h2-13H,14-15H2,1H3,(H,25,30)(H,27,28)/p-1