(3-methoxyphenyl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (3-methoxyphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(3-methoxyphenyl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (3-methoxyphenyl)methyl ester IUPAC Name: (3-methoxyphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-m-anisyl-isothiourea Formula: C14H22N2OS MolecularWeight: 266.40228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2OS/c1-11(2)7-8-16-14(15)18-10-12-5-4-6-13(9-12)17-3/h4-6,9,11H,7-8,10H2,1-3H3,(H2,15,16)