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

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]benzoate Openeye Name: 4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzoate Formula: C14H9BrClN2O2S- MolecularWeight: 384.65546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NC(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])NC(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C14H10BrClN2O2S/c15-9-3-6-12(11(16)7-9)18-14(21)17-10-4-1-8(2-5-10)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)/p-1