2,3,4-trimethylpentyl N'-pentylcarbamimidothioate

Systemtic Name: 2,3,4-trimethylpentyl N'-pentylcarbamimidothioate Openeye Name: 3-pentyl-2-(2,3,4-trimethylpentyl)isothiourea CAS Name: N'-pentylcarbamimidothioic acid 2,3,4-trimethylpentyl ester IUPAC Name: 2,3,4-trimethylpentyl N'-pentylcarbamimidothioate Traditional Name: 3-amyl-2-(2,3,4-trimethylpentyl)isothiourea Formula: C14H30N2S MolecularWeight: 258.4664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)SCC(C)C(C)C(C)C

Isomeric SMILES

CCCCCN=C(N)SCC(C)C(C)C(C)C

InChI

InChI=1S/C14H30N2S/c1-6-7-8-9-16-14(15)17-10-12(4)13(5)11(2)3/h11-13H,6-10H2,1-5H3,(H2,15,16)