ethyl 4-[[(2-bromophenyl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2-bromophenyl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2-bromobenzoyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(2-bromophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-bromobenzoyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(2-bromobenzoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C17H16BrN3O3S/c1-2-24-16(23)11-7-9-12(10-8-11)19-17(25)21-20-15(22)13-5-3-4-6-14(13)18/h3-10H,2H2,1H3,(H,20,22)(H2,19,21,25)