ethyl 6-(pyridin-3-ylmethylcarbamothioylamino)hexanoate

Systemtic Name: ethyl 6-(pyridin-3-ylmethylcarbamothioylamino)hexanoate Openeye Name: ethyl 6-(3-pyridylmethylcarbamothioylamino)hexanoate CAS Name: 6-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-(pyridin-3-ylmethylcarbamothioylamino)hexanoate Traditional Name: 6-(3-pyridylmethylthiocarbamoylamino)hexanoic acid ethyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCNC(=S)NCC1=CN=CC=C1

Isomeric SMILES

CCOC(=O)CCCCCNC(=S)NCC1=CN=CC=C1

InChI

InChI=1S/C15H23N3O2S/c1-2-20-14(19)8-4-3-5-10-17-15(21)18-12-13-7-6-9-16-11-13/h6-7,9,11H,2-5,8,10,12H2,1H3,(H2,17,18,21)