ethyl 2-[[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[[[1-(6-chloranylpyridazin-3-yl)piperidin-4-yl]carbonylamino]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamothioylamino]acetate CAS Name: 2-[[[[[1-(6-chloro-3-pyridazinyl)-4-piperidinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[1-(6-chloropyridazin-3-yl)piperidine-4-carbonyl]amino]carbamothioylamino]acetate Traditional Name: 2-[[[1-(6-chloropyridazin-3-yl)isonipecotoyl]amino]thiocarbamoylamino]acetic acid ethyl ester Formula: C15H21ClN6O3S MolecularWeight: 400.88364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NNC(=O)C1CCN(CC1)C2=NN=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)CNC(=S)NNC(=O)C1CCN(CC1)C2=NN=C(C=C2)Cl

InChI

InChI=1S/C15H21ClN6O3S/c1-2-25-13(23)9-17-15(26)21-20-14(24)10-5-7-22(8-6-10)12-4-3-11(16)18-19-12/h3-4,10H,2,5-9H2,1H3,(H,20,24)(H2,17,21,26)