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methyl N'-(2,3,4,5,6-pentamethylphenyl)carbamimidothioate

methyl N'-(2,3,4,5,6-pentamethylphenyl)carbamimidothioate

Systemtic Name:methyl N'-(2,3,4,5,6-pentamethylphenyl)carbamimidothioate
Openeye Name:2-methyl-3-(2,3,4,5,6-pentamethylphenyl)isothiourea
CAS Name:N'-(2,3,4,5,6-pentamethylphenyl)carbamimidothioic acid methyl ester
IUPAC Name:methyl N'-(2,3,4,5,6-pentamethylphenyl)carbamimidothioate
Traditional Name:2-methyl-3-(2,3,4,5,6-pentamethylphenyl)isothiourea
Formula: C13H20N2S
MolecularWeight: 236.3763
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)N=C(N)SC)C)C


Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)N=C(N)SC)C)C


InChI

InChI=1S/C13H20N2S/c1-7-8(2)10(4)12(11(5)9(7)3)15-13(14)16-6/h1-6H3,(H2,14,15)


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