ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-fluoranyl-phenyl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-fluoranyl-phenyl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-fluoro-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-4-fluoroanilino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-4-fluorophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-4-fluoro-phenyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C14H17FN4O4S2 MolecularWeight: 388.437583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(C=C(C=C1)F)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(C=C(C=C1)F)NC(=S)NC(=O)OCC

InChI

InChI=1S/C14H17FN4O4S2/c1-3-22-13(20)18-11(24)16-9-6-5-8(15)7-10(9)17-12(25)19-14(21)23-4-2/h5-7H,3-4H2,1-2H3,(H2,16,18,20,24)(H2,17,19,21,25)