methyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(2-benzyloxy-5-bromo-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-phenylmethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-phenylmethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-benzoxy-5-bromo-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H19BrN2O4S MolecularWeight: 499.37696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H19BrN2O4S/c1-29-22(28)16-7-10-18(11-8-16)25-23(31)26-21(27)19-13-17(24)9-12-20(19)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,25,26,27,31)