N-[(2-methylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-methylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(o-tolylcarbamothioyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-methylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-methylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(o-tolylthiocarbamoyl)-piperonylamide Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O3S/c1-10-4-2-3-5-12(10)17-16(22)18-15(19)11-6-7-13-14(8-11)21-9-20-13/h2-8H,9H2,1H3,(H2,17,18,19,22)