N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4-iodo-3,5-dimethyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(4-iodo-3,5-dimethylanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4-iodo-3,5-dimethyl-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H17IN2O3S MolecularWeight: 468.30865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H17IN2O3S/c1-10-7-13(8-11(2)16(10)19)20-18(25)21-17(22)12-3-4-14-15(9-12)24-6-5-23-14/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,25)