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

Systemtic Name: N-(hexadecylcarbamothioyl)-3-iodanyl-4-methyl-benzamide Openeye Name: N-(hexadecylcarbamothioyl)-3-iodo-4-methyl-benzamide CAS Name: N-[(hexadecylamino)-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-(hexadecylcarbamothioyl)-3-iodo-4-methylbenzamide Traditional Name: N-(cetylthiocarbamoyl)-3-iodo-4-methyl-benzamide Formula: C25H41IN2OS MolecularWeight: 544.57531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41IN2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-25(30)28-24(29)22-18-17-21(2)23(26)20-22/h17-18,20H,3-16,19H2,1-2H3,(H2,27,28,29,30)