ethyl 4-[(3-bromophenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-bromophenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-bromophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-bromoanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-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=C(C=C1)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

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

InChI

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