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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NCCC2=CC=CC=C2)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NCCC2=CC=CC=C2)N)C)C(C)(C)C

InChI

InChI=1S/C22H30N2S/c1-16-13-19(22(3,4)5)14-17(2)20(16)15-25-21(23)24-12-11-18-9-7-6-8-10-18/h6-10,13-14H,11-12,15H2,1-5H3,(H2,23,24)