methyl N'-(2-methylbut-3-yn-2-yl)-N-naphthalen-1-yl-carbamimidothioate

Systemtic Name: methyl N'-(2-methylbut-3-yn-2-yl)-N-naphthalen-1-yl-carbamimidothioate Openeye Name: 3-(1,1-dimethylprop-2-ynyl)-2-methyl-1-(1-naphthyl)isothiourea CAS Name: N'-(2-methylbut-3-yn-2-yl)-N-(1-naphthalenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2-methylbut-3-yn-2-yl)-N-naphthalen-1-ylcarbamimidothioate Traditional Name: 3-(1,1-dimethylprop-2-ynyl)-2-methyl-1-(1-naphthyl)isothiourea Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)N=C(NC1=CC=CC2=CC=CC=C21)SC

Isomeric SMILES

CC(C)(C#C)N=C(NC1=CC=CC2=CC=CC=C21)SC

InChI

InChI=1S/C17H18N2S/c1-5-17(2,3)19-16(20-4)18-15-12-8-10-13-9-6-7-11-14(13)15/h1,6-12H,2-4H3,(H,18,19)