3-azanyl-2-octadecanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide

Systemtic Name: 3-azanyl-2-octadecanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide Openeye Name: 3-amino-2-octadecanoyl-5-thioxo-1H-pyrazole-4-carboxamide CAS Name: 3-amino-2-(1-oxooctadecyl)-5-sulfanylidene-1H-pyrazole-4-carboxamide IUPAC Name: 3-amino-2-octadecanoyl-5-sulfanylidene-1H-pyrazole-4-carboxamide Traditional Name: 5-amino-1-stearoyl-3-thioxo-3-pyrazoline-4-carboxamide Formula: C22H40N4O2S MolecularWeight: 424.6436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1C(=C(C(=S)N1)C(=O)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1C(=C(C(=S)N1)C(=O)N)N

InChI

InChI=1S/C22H40N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(27)26-20(23)19(21(24)28)22(29)25-26/h2-17,23H2,1H3,(H2,24,28)(H,25,29)