methyl N-(4-chloranyl-2-methyl-phenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate

Systemtic Name: methyl N-(4-chloranyl-2-methyl-phenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Openeye Name: 1-(4-chloro-2-methyl-phenyl)-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea CAS Name: N-(4-chloro-2-methylphenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-chloro-2-methylphenyl)-N'-(2-methylbut-3-yn-2-yl)carbamimidothioate Traditional Name: 1-(4-chloro-2-methyl-phenyl)-3-(1,1-dimethylprop-2-ynyl)-2-methyl-isothiourea Formula: C14H17ClN2S MolecularWeight: 280.81618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=NC(C)(C)C#C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=NC(C)(C)C#C)SC

InChI

InChI=1S/C14H17ClN2S/c1-6-14(3,4)17-13(18-5)16-12-8-7-11(15)9-10(12)2/h1,7-9H,2-5H3,(H,16,17)