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

Systemtic Name: ethyl N-heptan-2-yl-N'-hexyl-carbamimidothioate Openeye Name: 2-ethyl-3-hexyl-1-(1-methylhexyl)isothiourea CAS Name: N-heptan-2-yl-N'-hexylcarbamimidothioic acid ethyl ester IUPAC Name: ethyl N-heptan-2-yl-N'-hexylcarbamimidothioate Traditional Name: 2-ethyl-3-hexyl-1-(1-methylhexyl)isothiourea Formula: C16H34N2S MolecularWeight: 286.51956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(NC(C)CCCCC)SCC

Isomeric SMILES

CCCCCCN=C(NC(C)CCCCC)SCC

InChI

InChI=1S/C16H34N2S/c1-5-8-10-12-14-17-16(19-7-3)18-15(4)13-11-9-6-2/h15H,5-14H2,1-4H3,(H,17,18)