2-methylpropyl N'-(3,5-dimethylphenyl)carbamimidothioate

Systemtic Name: 2-methylpropyl N'-(3,5-dimethylphenyl)carbamimidothioate Openeye Name: 3-(3,5-dimethylphenyl)-2-isobutyl-isothiourea CAS Name: N'-(3,5-dimethylphenyl)carbamimidothioic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N'-(3,5-dimethylphenyl)carbamimidothioate Traditional Name: 3-(3,5-dimethylphenyl)-2-isobutyl-isothiourea Formula: C13H20N2S MolecularWeight: 236.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C(N)SCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N=C(N)SCC(C)C)C

InChI

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