N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-methyl-4-nitrophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]-piperonylamide Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H13N3O5S/c1-9-6-11(19(21)22)3-4-12(9)17-16(25)18-15(20)10-2-5-13-14(7-10)24-8-23-13/h2-7H,8H2,1H3,(H2,17,18,20,25)