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

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-isobutyl-isothiourea Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=NCC(C)C)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=NCC(C)C)N

InChI

InChI=1S/C14H22N2S/c1-10(2)8-16-14(15)17-9-13-7-11(3)5-6-12(13)4/h5-7,10H,8-9H2,1-4H3,(H2,15,16)