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

Systemtic Name: ethyl 4-[(2-azanyl-4-bromanyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-amino-4-bromo-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-amino-4-bromoanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-4-bromophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-amino-4-bromo-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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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)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O2S/c1-2-22-15(21)10-3-6-12(7-4-10)19-16(23)20-14-8-5-11(17)9-13(14)18/h3-9H,2,18H2,1H3,(H2,19,20,23)