N-(heptylcarbamothioyl)-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-(heptylcarbamothioyl)-3-iodanyl-4-methyl-benzamide Openeye Name: N-(heptylcarbamothioyl)-3-iodo-4-methyl-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-(heptylcarbamothioyl)-3-iodo-4-methylbenzamide Traditional Name: N-(heptylthiocarbamoyl)-3-iodo-4-methyl-benzamide Formula: C16H23IN2OS MolecularWeight: 418.33609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)C)I

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)C)I

InChI

InChI=1S/C16H23IN2OS/c1-3-4-5-6-7-10-18-16(21)19-15(20)13-9-8-12(2)14(17)11-13/h8-9,11H,3-7,10H2,1-2H3,(H2,18,19,20,21)