N-[(pyridin-4-ylcarbonylamino)carbamothioyl]octadecanamide

Systemtic Name: N-[(pyridin-4-ylcarbonylamino)carbamothioyl]octadecanamide Openeye Name: N-[(pyridine-4-carbonylamino)carbamothioyl]octadecanamide CAS Name: N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]octadecanamide IUPAC Name: N-[(pyridine-4-carbonylamino)carbamothioyl]octadecanamide Traditional Name: N-(isonicotinamidothiocarbamoyl)stearamide Formula: C25H42N4O2S MolecularWeight: 462.69158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=NC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=NC=C1

InChI

InChI=1S/C25H42N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)27-25(32)29-28-24(31)22-18-20-26-21-19-22/h18-21H,2-17H2,1H3,(H,28,31)(H2,27,29,30,32)