octylsulfanylmethyl N-cyano-N'-phenyl-carbamimidothioate

Systemtic Name: octylsulfanylmethyl N-cyano-N'-phenyl-carbamimidothioate Openeye Name: 1-cyano-2-(octylsulfanylmethyl)-3-phenyl-isothiourea CAS Name: N-cyano-N'-phenylcarbamimidothioic acid (octylthio)methyl ester IUPAC Name: octylsulfanylmethyl N-cyano-N'-phenylcarbamimidothioate Traditional Name: 1-cyano-2-[(octylthio)methyl]-3-phenyl-isothiourea Formula: C17H25N3S2 MolecularWeight: 335.5305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCSC(=NC1=CC=CC=C1)NC#N

Isomeric SMILES

CCCCCCCCSCSC(=NC1=CC=CC=C1)NC#N

InChI

InChI=1S/C17H25N3S2/c1-2-3-4-5-6-10-13-21-15-22-17(19-14-18)20-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13,15H2,1H3,(H,19,20)