N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(4-iodanyl-2,5-dimethyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(4-iodo-2,5-dimethyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(4-iodo-2,5-dimethylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-iodo-2,5-dimethyl-phenyl)thiocarbamoyl]-piperonylamide Formula: C17H15IN2O3S MolecularWeight: 454.28207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1I)C)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1I)C)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H15IN2O3S/c1-9-6-13(10(2)5-12(9)18)19-17(24)20-16(21)11-3-4-14-15(7-11)23-8-22-14/h3-7H,8H2,1-2H3,(H2,19,20,21,24)