ethyl 4-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-bromanyl-4-methyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-bromo-4-methyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-bromo-4-methylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-bromo-4-methylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-bromo-4-methyl-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O2S/c1-3-22-16(21)12-5-7-13(8-6-12)19-17(23)20-15-9-4-11(2)10-14(15)18/h4-10H,3H2,1-2H3,(H2,19,20,23)