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

Systemtic Name: tert-butyl N-[3-(pyridin-2-ylcarbamothioylamino)propyl]carbamate Openeye Name: tert-butyl N-[3-(2-pyridylcarbamothioylamino)propyl]carbamate CAS Name: N-[3-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(pyridin-2-ylcarbamothioylamino)propyl]carbamate Traditional Name: N-[3-(2-pyridylthiocarbamoylamino)propyl]carbamic acid tert-butyl ester Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC=CC=N1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC=CC=N1

InChI

InChI=1S/C14H22N4O2S/c1-14(2,3)20-13(19)17-10-6-9-16-12(21)18-11-7-4-5-8-15-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,19)(H2,15,16,18,21)