naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate

Systemtic Name: naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate Openeye Name: 2-(1-naphthylmethyl)-1,3-dioctyl-isothiourea CAS Name: N,N'-dioctylcarbamimidothioic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate Traditional Name: 2-(1-naphthylmethyl)-1,3-dioctyl-isothiourea Formula: C28H44N2S MolecularWeight: 440.72736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=NCCCCCCCC)SCC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCNC(=NCCCCCCCC)SCC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C28H44N2S/c1-3-5-7-9-11-15-22-29-28(30-23-16-12-10-8-6-4-2)31-24-26-20-17-19-25-18-13-14-21-27(25)26/h13-14,17-21H,3-12,15-16,22-24H2,1-2H3,(H,29,30)