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

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-piperonylamide Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC3=C(C=C2)OCO3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O5S/c1-8-4-12(20(22)23)10(17)6-11(8)18-16(26)19-15(21)9-2-3-13-14(5-9)25-7-24-13/h2-6H,7H2,1H3,(H2,18,19,21,26)