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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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