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

Systemtic Name: N-(heptylcarbamothioyl)-3-iodanyl-4-methoxy-benzamide Openeye Name: N-(heptylcarbamothioyl)-3-iodo-4-methoxy-benzamide CAS Name: N-[(heptylamino)-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-(heptylcarbamothioyl)-3-iodo-4-methoxybenzamide Traditional Name: N-(heptylthiocarbamoyl)-3-iodo-4-methoxy-benzamide Formula: C16H23IN2O2S MolecularWeight: 434.33549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23IN2O2S/c1-3-4-5-6-7-10-18-16(22)19-15(20)12-8-9-14(21-2)13(17)11-12/h8-9,11H,3-7,10H2,1-2H3,(H2,18,19,20,22)