N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-hydroxy-5-methyl-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]-piperonylamide Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O4S/c1-9-2-4-12(19)11(6-9)17-16(23)18-15(20)10-3-5-13-14(7-10)22-8-21-13/h2-7,19H,8H2,1H3,(H2,17,18,20,23)