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

Systemtic Name: N-[(2,3-dimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2,3-dimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2,3-dimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2,3-dimethylphenyl)thiocarbamoyl]-piperonylamide Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-10-4-3-5-13(11(10)2)18-17(23)19-16(20)12-6-7-14-15(8-12)22-9-21-14/h3-8H,9H2,1-2H3,(H2,18,19,20,23)