ethyl N-heptan-2-yl-N'-octyl-carbamimidothioate

Systemtic Name: ethyl N-heptan-2-yl-N'-octyl-carbamimidothioate Openeye Name: 2-ethyl-1-(1-methylhexyl)-3-octyl-isothiourea CAS Name: N-heptan-2-yl-N'-octylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N-heptan-2-yl-N'-octylcarbamimidothioate Traditional Name: 2-ethyl-1-(1-methylhexyl)-3-octyl-isothiourea Formula: C18H38N2S MolecularWeight: 314.57272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C(NC(C)CCCCC)SCC

Isomeric SMILES

CCCCCCCCN=C(NC(C)CCCCC)SCC

InChI

InChI=1S/C18H38N2S/c1-5-8-10-11-12-14-16-19-18(21-7-3)20-17(4)15-13-9-6-2/h17H,5-16H2,1-4H3,(H,19,20)