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

Systemtic Name: tert-butyl N-[3-(pyridin-4-ylcarbamothioylamino)propyl]carbamate Openeye Name: tert-butyl N-[3-(4-pyridylcarbamothioylamino)propyl]carbamate CAS Name: N-[3-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(pyridin-4-ylcarbamothioylamino)propyl]carbamate Traditional Name: N-[3-(4-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=NC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCNC(=S)NC1=CC=NC=C1

InChI

InChI=1S/C14H22N4O2S/c1-14(2,3)20-13(19)17-8-4-7-16-12(21)18-11-5-9-15-10-6-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)(H2,15,16,18,21)