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

Systemtic Name: tert-butyl N-[1-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamate Openeye Name: tert-butyl N-[1-[carbamothioyl(4-pyridyl)amino]dodecyl]carbamate CAS Name: N-[1-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[carbamothioyl(pyridin-4-yl)amino]dodecyl]carbamate Traditional Name: N-[1-[4-pyridyl(thiocarbamoyl)amino]dodecyl]carbamic acid tert-butyl ester Formula: C23H40N4O2S MolecularWeight: 436.6543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N4O2S/c1-5-6-7-8-9-10-11-12-13-14-20(26-22(28)29-23(2,3)4)27(21(24)30)19-15-17-25-18-16-19/h15-18,20H,5-14H2,1-4H3,(H2,24,30)(H,26,28)