methyl N'-[(4-tert-butylphenyl)methyl]carbamimidothioate

Systemtic Name: methyl N'-[(4-tert-butylphenyl)methyl]carbamimidothioate Openeye Name: 3-[(4-tert-butylphenyl)methyl]-2-methyl-isothiourea CAS Name: N'-[(4-tert-butylphenyl)methyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(4-tert-butylphenyl)methyl]carbamimidothioate Traditional Name: 3-(4-tert-butylbenzyl)-2-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)CN=C(N)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN=C(N)SC

InChI

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