N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitro-benzenecarbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-nitrobenzenecarbothioamide Traditional Name: 4-nitro-N-piperonyl-thiobenzamide Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O4S/c18-17(19)12-4-2-11(3-5-12)15(22)16-8-10-1-6-13-14(7-10)21-9-20-13/h1-7H,8-9H2,(H,16,22)