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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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