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

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamothioylamino]benzoate Openeye Name: ethyl 2-[(4-bromophenyl)carbamothioylamino]benzoate CAS Name: 2-[[(4-bromoanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-bromophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H15BrN2O2S MolecularWeight: 379.2715

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H15BrN2O2S/c1-2-21-15(20)13-5-3-4-6-14(13)19-16(22)18-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H2,18,19,22)