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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-p-phenetyl-isothiourea Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=C(C=C(C=C2C)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=C(C=C(C=C2C)C(C)(C)C)C

InChI

InChI=1S/C22H30N2OS/c1-7-25-19-10-8-18(9-11-19)24-21(23)26-14-20-15(2)12-17(13-16(20)3)22(4,5)6/h8-13H,7,14H2,1-6H3,(H2,23,24)