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

Systemtic Name: ethyl 4-[(2-azanylpyridin-3-yl)carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(2-amino-3-pyridyl)carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[(2-amino-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-aminopyridin-3-yl)carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[(2-amino-3-pyridyl)thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(N=CC=C2)N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=C(N=CC=C2)N

InChI

InChI=1S/C14H21N5O2S/c1-2-21-14(20)19-8-5-10(6-9-19)17-13(22)18-11-4-3-7-16-12(11)15/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,15,16)(H2,17,18,22)