ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-(trifluoromethyl)-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-5-(trifluoromethyl)-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-(trifluoromethyl)pyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-5-(trifluoromethyl)-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C14H16F3N5O4S2 MolecularWeight: 439.43315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N5O4S2/c1-3-25-12(23)21-10(27)19-8-5-7(14(15,16)17)6-18-9(8)20-11(28)22-13(24)26-4-2/h5-6H,3-4H2,1-2H3,(H2,19,21,23,27)(H2,18,20,22,24,28)