2-ethylhexyl N,N'-diphenylcarbamimidothioate

Systemtic Name: 2-ethylhexyl N,N'-diphenylcarbamimidothioate Openeye Name: 2-(2-ethylhexyl)-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl N,N'-diphenylcarbamimidothioate Traditional Name: 2-(2-ethylhexyl)-1,3-diphenyl-isothiourea Formula: C21H28N2S MolecularWeight: 340.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSC(=NC1=CC=CC=C1)NC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CSC(=NC1=CC=CC=C1)NC2=CC=CC=C2

InChI

InChI=1S/C21H28N2S/c1-3-5-12-18(4-2)17-24-21(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3,(H,22,23)