prop-2-enylcarbamothioyl (Z)-docos-13-enoate

Systemtic Name: prop-2-enylcarbamothioyl (Z)-docos-13-enoate Openeye Name: allylcarbamothioyl (Z)-docos-13-enoate CAS Name: (Z)-13-docosenoic acid [(prop-2-enylamino)-sulfanylidenemethyl] ester IUPAC Name: prop-2-enylcarbamothioyl (Z)-docos-13-enoate Traditional Name: (Z)-docos-13-enoic acid allylthiocarbamoyl ester Formula: C26H47NO2S MolecularWeight: 437.72188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(=S)NCC=C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(=S)NCC=C

InChI

InChI=1S/C26H47NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(28)29-26(30)27-24-4-2/h4,11-12H,2-3,5-10,13-24H2,1H3,(H,27,30)/b12-11-