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methyl N-cyano-N'-octyl-carbamimidothioate

methyl N-cyano-N'-octyl-carbamimidothioate

Systemtic Name:methyl N-cyano-N'-octyl-carbamimidothioate
Openeye Name:1-cyano-2-methyl-3-octyl-isothiourea
CAS Name:N-cyano-N'-octylcarbamimidothioic acid methyl ester
IUPAC Name:methyl N-cyano-N'-octylcarbamimidothioate
Traditional Name:1-cyano-2-methyl-3-octyl-isothiourea
Formula: C11H21N3S
MolecularWeight: 227.36954
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C(NC#N)SC


Isomeric SMILES

CCCCCCCCN=C(NC#N)SC


InChI

InChI=1S/C11H21N3S/c1-3-4-5-6-7-8-9-13-11(15-2)14-10-12/h3-9H2,1-2H3,(H,13,14)


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