ethyl 4-[[2-(2-ethoxyethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[2-(2-ethoxyethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-ethoxyethylamino)-3-pyridyl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[2-(2-ethoxyethylamino)-3-pyridinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-ethoxyethylamino)pyridin-3-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[2-(2-ethoxyethylamino)-3-pyridyl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C18H29N5O3S MolecularWeight: 395.51956

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=C(C=CC=N1)NC(=S)NC2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOCCNC1=C(C=CC=N1)NC(=S)NC2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C18H29N5O3S/c1-3-25-13-10-20-16-15(6-5-9-19-16)22-17(27)21-14-7-11-23(12-8-14)18(24)26-4-2/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3,(H,19,20)(H2,21,22,27)