ethyl 3-[(4-chloranyl-2-fluoranyl-phenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-chloranyl-2-fluoranyl-phenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(4-chloro-2-fluoro-phenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(4-chloro-2-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-2-fluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(4-chloro-2-fluoro-benzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H16ClFN2O2S MolecularWeight: 366.837543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NCC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C17H16ClFN2O2S/c1-2-23-16(22)11-4-3-5-14(8-11)21-17(24)20-10-12-6-7-13(18)9-15(12)19/h3-9H,2,10H2,1H3,(H2,20,21,24)