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

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-isoamyl-isothiourea Formula: C19H32N2S MolecularWeight: 320.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NCCC(C)C)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NCCC(C)C)N)C)C(C)(C)C

InChI

InChI=1S/C19H32N2S/c1-13(2)8-9-21-18(20)22-12-17-14(3)10-16(11-15(17)4)19(5,6)7/h10-11,13H,8-9,12H2,1-7H3,(H2,20,21)