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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-phenyl-isothiourea Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2S/c1-14-11-16(20(3,4)5)12-15(2)18(14)13-23-19(21)22-17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H2,21,22)