prop-2-enyl N-heptan-2-yl-N'-octyl-carbamimidothioate

Systemtic Name: prop-2-enyl N-heptan-2-yl-N'-octyl-carbamimidothioate Openeye Name: 2-allyl-1-(1-methylhexyl)-3-octyl-isothiourea CAS Name: N-heptan-2-yl-N'-octylcarbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-heptan-2-yl-N'-octylcarbamimidothioate Traditional Name: 2-allyl-1-(1-methylhexyl)-3-octyl-isothiourea Formula: C19H38N2S MolecularWeight: 326.58342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C(NC(C)CCCCC)SCC=C

Isomeric SMILES

CCCCCCCCN=C(NC(C)CCCCC)SCC=C

InChI

InChI=1S/C19H38N2S/c1-5-8-10-11-12-14-16-20-19(22-17-7-3)21-18(4)15-13-9-6-2/h7,18H,3,5-6,8-17H2,1-2,4H3,(H,20,21)