ethyl N-[[6-butoxy-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[6-butoxy-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[6-butoxy-2-(ethoxycarbonylcarbamothioylamino)-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[6-butoxy-2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[6-butoxy-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[6-butoxy-2-(carbethoxythiocarbamoylamino)-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C17H25N5O5S2 MolecularWeight: 443.5409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=C(C=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCCCOC1=NC(=C(C=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C17H25N5O5S2/c1-4-7-10-27-12-9-8-11(18-14(28)21-16(23)25-5-2)13(19-12)20-15(29)22-17(24)26-6-3/h8-9H,4-7,10H2,1-3H3,(H2,18,21,23,28)(H2,19,20,22,24,29)