tert-butyl N-[5-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamate Openeye Name: tert-butyl N-[5-[carbamothioyl(4-pyridyl)amino]pentyl]carbamate CAS Name: N-[5-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamate Traditional Name: N-[5-[4-pyridyl(thiocarbamoyl)amino]pentyl]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)NCCCCCN(C1=CC=NC=C1)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCN(C1=CC=NC=C1)C(=S)N

InChI

InChI=1S/C16H26N4O2S/c1-16(2,3)22-15(21)19-9-5-4-6-12-20(14(17)23)13-7-10-18-11-8-13/h7-8,10-11H,4-6,9,12H2,1-3H3,(H2,17,23)(H,19,21)