methyl N-(3,4-dichlorophenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate

Systemtic Name: methyl N-(3,4-dichlorophenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Openeye Name: 1-(3,4-dichlorophenyl)-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea CAS Name: N-(3,4-dichlorophenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(3,4-dichlorophenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Traditional Name: 1-(3,4-dichlorophenyl)-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea Formula: C13H14Cl2N2S MolecularWeight: 301.23466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N=C(NC1=CC(=C(C=C1)Cl)Cl)SC

Isomeric SMILES

CC(C)(C#C)N=C(NC1=CC(=C(C=C1)Cl)Cl)SC

InChI

InChI=1S/C13H14Cl2N2S/c1-5-13(2,3)17-12(18-4)16-9-6-7-10(14)11(15)8-9/h1,6-8H,2-4H3,(H,16,17)