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

Systemtic Name: ethyl N-[[5-chloranyl-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[5-chloro-2-(ethoxycarbonylcarbamothioylamino)-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[5-chloro-2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[5-chloro-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-5-chloro-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C13H16ClN5O4S2 MolecularWeight: 405.88024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC(=CN=C1NC(=S)NC(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC(=CN=C1NC(=S)NC(=O)OCC)Cl

InChI

InChI=1S/C13H16ClN5O4S2/c1-3-22-12(20)18-10(24)16-8-5-7(14)6-15-9(8)17-11(25)19-13(21)23-4-2/h5-6H,3-4H2,1-2H3,(H2,16,18,20,24)(H2,15,17,19,21,25)