(2,5-dimethylphenyl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(2,5-dimethylphenyl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-(2,5-dimethylbenzyl)isothiourea Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2S/c1-4-7-15-13(14)16-9-12-8-10(2)5-6-11(12)3/h4-6,8H,1,7,9H2,2-3H3,(H2,14,15)