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

Systemtic Name: methylsulfanylmethyl N-heptan-2-yl-N'-hexyl-carbamimidothioate Openeye Name: 3-hexyl-1-(1-methylhexyl)-2-(methylsulfanylmethyl)isothiourea CAS Name: N-heptan-2-yl-N'-hexylcarbamimidothioic acid (methylthio)methyl ester IUPAC Name: methylsulfanylmethyl N-heptan-2-yl-N'-hexylcarbamimidothioate Traditional Name: 3-hexyl-1-(1-methylhexyl)-2-[(methylthio)methyl]isothiourea Formula: C16H34N2S2 MolecularWeight: 318.58456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(NC(C)CCCCC)SCSC

Isomeric SMILES

CCCCCCN=C(NC(C)CCCCC)SCSC

InChI

InChI=1S/C16H34N2S2/c1-5-7-9-11-13-17-16(20-14-19-4)18-15(3)12-10-8-6-2/h15H,5-14H2,1-4H3,(H,17,18)