ethyl 4-[[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(5-bromo-2-chloro-benzoyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5-bromo-2-chlorobenzoyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(5-bromo-2-chloro-benzoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H15BrClN3O3S MolecularWeight: 456.7413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrClN3O3S/c1-2-25-16(24)10-3-6-12(7-4-10)20-17(26)22-21-15(23)13-9-11(18)5-8-14(13)19/h3-9H,2H2,1H3,(H,21,23)(H2,20,22,26)