3-chloranyl-N-(2-methylbut-3-yn-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-chloranyl-N-(2-methylbut-3-yn-2-ylcarbamothioyl)benzamide Openeye Name: 3-chloro-N-(1,1-dimethylprop-2-ynylcarbamothioyl)benzamide CAS Name: 3-chloro-N-[(2-methylbut-3-yn-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-(2-methylbut-3-yn-2-ylcarbamothioyl)benzamide Traditional Name: 3-chloro-N-(1,1-dimethylprop-2-ynylthiocarbamoyl)benzamide Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC(=S)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C#C)NC(=S)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H13ClN2OS/c1-4-13(2,3)16-12(18)15-11(17)9-6-5-7-10(14)8-9/h1,5-8H,2-3H3,(H2,15,16,17,18)