(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-cyclopentylcarbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-cyclopentyl-isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-cyclopentyl-isothiourea Formula: C19H30N2S MolecularWeight: 318.5199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC2CCCC2)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NC2CCCC2)N)C)C(C)(C)C

InChI

InChI=1S/C19H30N2S/c1-13-10-15(19(3,4)5)11-14(2)17(13)12-22-18(20)21-16-8-6-7-9-16/h10-11,16H,6-9,12H2,1-5H3,(H2,20,21)