ethyl 3-[(2-bromophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(2-bromophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(2-bromophenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(2-bromophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-bromophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(2-bromobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CC=CC=C2Br

InChI

InChI=1S/C17H17BrN2O2S/c1-2-22-16(21)12-7-5-8-14(10-12)20-17(23)19-11-13-6-3-4-9-15(13)18/h3-10H,2,11H2,1H3,(H2,19,20,23)