ethyl 4-[[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[[2,4-bis(fluoranyl)phenyl]carbamothioylamino]carbamoylamino]benzoate Openeye Name: ethyl 4-[[(2,4-difluorophenyl)carbamothioylamino]carbamoylamino]benzoate CAS Name: 4-[[[[(2,4-difluoroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,4-difluorophenyl)carbamothioylamino]carbamoylamino]benzoate Traditional Name: 4-[[(2,4-difluorophenyl)thiocarbamoylamino]carbamoylamino]benzoic acid ethyl ester Formula: C17H16F2N4O3S MolecularWeight: 394.395746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=S)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NNC(=S)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C17H16F2N4O3S/c1-2-26-15(24)10-3-6-12(7-4-10)20-16(25)22-23-17(27)21-14-8-5-11(18)9-13(14)19/h3-9H,2H2,1H3,(H2,20,22,25)(H2,21,23,27)