methyl 2-[(4-bromophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(4-bromophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(4-bromobenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-bromobenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-bromobenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrN2O3S/c1-22-15(21)12-4-2-3-5-13(12)18-16(23)19-14(20)10-6-8-11(17)9-7-10/h2-9H,1H3,(H2,18,19,20,23)