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

Systemtic Name: N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-ethyl-4-iodophenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-ethyl-4-iodo-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:

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3

InChI

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