(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-[(1R)-1,5-dimethylhexyl]isothiourea CAS Name: N'-[(2R)-6-methylheptan-2-yl]carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-[(2R)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-[(1R)-1,5-dimethylhexyl]isothiourea Formula: C22H38N2S MolecularWeight: 362.61552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC(C)CCCC(C)C)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=N[C@H](C)CCCC(C)C)N)C)C(C)(C)C

InChI

InChI=1S/C22H38N2S/c1-15(2)10-9-11-18(5)24-21(23)25-14-20-16(3)12-19(13-17(20)4)22(6,7)8/h12-13,15,18H,9-11,14H2,1-8H3,(H2,23,24)/t18-/m1/s1