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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(3-methoxyphenyl)isothiourea CAS Name: N'-(3-methoxyphenyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-(3-methoxyphenyl)isothiourea Formula: C21H28N2OS MolecularWeight: 356.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NC2=CC(=CC=C2)OC)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NC2=CC(=CC=C2)OC)N)C)C(C)(C)C

InChI

InChI=1S/C21H28N2OS/c1-14-10-16(21(3,4)5)11-15(2)19(14)13-25-20(22)23-17-8-7-9-18(12-17)24-6/h7-12H,13H2,1-6H3,(H2,22,23)