(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(3,4-dimethylphenyl)isothiourea CAS Name: N'-(3,4-dimethylphenyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-(3,4-dimethylphenyl)isothiourea Formula: C22H30N2S MolecularWeight: 354.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N)SCC2=C(C=C(C=C2C)C(C)(C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=C(C=C(C=C2C)C(C)(C)C)C)C

InChI

InChI=1S/C22H30N2S/c1-14-8-9-19(12-15(14)2)24-21(23)25-13-20-16(3)10-18(11-17(20)4)22(5,6)7/h8-12H,13H2,1-7H3,(H2,23,24)