tert-butyl N-[3-(2-pyridin-4-ylethylcarbamothioylamino)propyl]carbamate

Systemtic Name: tert-butyl N-[3-(2-pyridin-4-ylethylcarbamothioylamino)propyl]carbamate Openeye Name: tert-butyl N-[3-[2-(4-pyridyl)ethylcarbamothioylamino]propyl]carbamate CAS Name: N-[3-[[(2-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2-pyridin-4-ylethylcarbamothioylamino)propyl]carbamate Traditional Name: N-[3-[2-(4-pyridyl)ethylthiocarbamoylamino]propyl]carbamic acid tert-butyl ester Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC(=S)NCCC1=CC=NC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=S)NCCC1=CC=NC=C1

InChI

InChI=1S/C16H26N4O2S/c1-16(2,3)22-15(21)20-9-4-8-18-14(23)19-12-7-13-5-10-17-11-6-13/h5-6,10-11H,4,7-9,12H2,1-3H3,(H,20,21)(H2,18,19,23)