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

Systemtic Name: N-[(5-ethyl-2-oxidanyl-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(5-ethyl-2-hydroxy-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(5-ethyl-2-hydroxyanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(5-ethyl-2-hydroxy-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-2-11-3-5-14(21)13(9-11)19-18(25)20-17(22)12-4-6-15-16(10-12)24-8-7-23-15/h3-6,9-10,21H,2,7-8H2,1H3,(H2,19,20,22,25)