(phenylmethyl) N,N'-dibutylcarbamimidothioate

Systemtic Name: (phenylmethyl) N,N'-dibutylcarbamimidothioate Openeye Name: 2-benzyl-1,3-dibutyl-isothiourea CAS Name: N,N'-dibutylcarbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N,N'-dibutylcarbamimidothioate Traditional Name: 2-benzyl-1,3-dibutyl-isothiourea Formula: C16H26N2S MolecularWeight: 278.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=NCCCC)SCC1=CC=CC=C1

Isomeric SMILES

CCCCNC(=NCCCC)SCC1=CC=CC=C1

InChI

InChI=1S/C16H26N2S/c1-3-5-12-17-16(18-13-6-4-2)19-14-15-10-8-7-9-11-15/h7-11H,3-6,12-14H2,1-2H3,(H,17,18)