(4-methylsulfanylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(4-methylsulfanylphenyl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[4-(methylthio)benzyl]isothiourea Formula: C14H22N2S2 MolecularWeight: 282.46788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)CCN=C(N)SCC1=CC=C(C=C1)SC

InChI

InChI=1S/C14H22N2S2/c1-11(2)8-9-16-14(15)18-10-12-4-6-13(17-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H2,15,16)