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

Systemtic Name: N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCCO3)OC)Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-23-14-9-12(15(24-2)8-11(14)19)20-18(27)21-17(22)10-3-4-13-16(7-10)26-6-5-25-13/h3-4,7-9H,5-6H2,1-2H3,(H2,20,21,22,27)