tert-butyl N-[12-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamate

Systemtic Name: tert-butyl N-[12-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamate Openeye Name: tert-butyl N-[12-[carbamothioyl(4-pyridyl)amino]dodecyl]carbamate CAS Name: N-[12-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[12-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamate Traditional Name: N-[12-[4-pyridyl(thiocarbamoyl)amino]dodecyl]carbamic acid tert-butyl ester Formula: C23H40N4O2S MolecularWeight: 436.6543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N4O2S/c1-23(2,3)29-22(28)26-16-12-10-8-6-4-5-7-9-11-13-19-27(21(24)30)20-14-17-25-18-15-20/h14-15,17-18H,4-13,16,19H2,1-3H3,(H2,24,30)(H,26,28)