N-(tert-butylcarbamothioyl)-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-(tert-butylcarbamothioyl)-3-iodanyl-4-methyl-benzamide Openeye Name: N-(tert-butylcarbamothioyl)-3-iodo-4-methyl-benzamide CAS Name: N-[(tert-butylamino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-(tert-butylcarbamothioyl)-3-iodo-4-methylbenzamide Traditional Name: N-(tert-butylthiocarbamoyl)-3-iodo-4-methyl-benzamide Formula: C13H17IN2OS MolecularWeight: 376.25635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC(C)(C)C)I

InChI

InChI=1S/C13H17IN2OS/c1-8-5-6-9(7-10(8)14)11(17)15-12(18)16-13(2,3)4/h5-7H,1-4H3,(H2,15,16,17,18)