N-[(2,4,6-trimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2,4,6-trimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2,4,6-trimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2,4,6-trimethylphenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(mesitylthiocarbamoyl)-piperonylamide Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-10-6-11(2)16(12(3)7-10)19-18(24)20-17(21)13-4-5-14-15(8-13)23-9-22-14/h4-8H,9H2,1-3H3,(H2,19,20,21,24)