ethyl 3-[[2,5-bis(fluoranyl)phenyl]methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[2,5-bis(fluoranyl)phenyl]methylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[(2,5-difluorophenyl)methylcarbamothioylamino]benzoate CAS Name: 3-[[[(2,5-difluorophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-difluorophenyl)methylcarbamothioylamino]benzoate Traditional Name: 3-[(2,5-difluorobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H16F2N2O2S MolecularWeight: 350.382946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F2N2O2S/c1-2-23-16(22)11-4-3-5-14(9-11)21-17(24)20-10-12-8-13(18)6-7-15(12)19/h3-9H,2,10H2,1H3,(H2,20,21,24)