tert-butyl N-[1-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamate

Systemtic Name: tert-butyl N-[1-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamate Openeye Name: tert-butyl N-[1-[carbamothioyl(4-pyridyl)amino]pentyl]carbamate CAS Name: N-[1-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[carbamothioyl(pyridin-4-yl)amino]pentyl]carbamate Traditional Name: N-[1-[4-pyridyl(thiocarbamoyl)amino]pentyl]carbamic acid tert-butyl ester Formula: C16H26N4O2S MolecularWeight: 338.46824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O2S/c1-5-6-7-13(19-15(21)22-16(2,3)4)20(14(17)23)12-8-10-18-11-9-12/h8-11,13H,5-7H2,1-4H3,(H2,17,23)(H,19,21)