(4-tert-butylphenyl)methyl N'-methylcarbamimidothioate

Systemtic Name: (4-tert-butylphenyl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-methylcarbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-methyl-isothiourea Formula: C13H20N2S MolecularWeight: 236.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=NC)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=NC)N

InChI

InChI=1S/C13H20N2S/c1-13(2,3)11-7-5-10(6-8-11)9-16-12(14)15-4/h5-8H,9H2,1-4H3,(H2,14,15)