(2-methanoyl-4-nitro-phenyl) 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbodithioate

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbodithioate Openeye Name: (2-formyl-4-nitro-phenyl) 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbodithioate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbodithioic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbodithioate Traditional Name: 4-piperonylpiperazine-1-carbodithioic acid (2-formyl-4-nitro-phenyl) ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)SC4=C(C=C(C=C4)[N+](=O)[O-])C=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)SC4=C(C=C(C=C4)[N+](=O)[O-])C=O

InChI

InChI=1S/C20H19N3O5S2/c24-12-15-10-16(23(25)26)2-4-19(15)30-20(29)22-7-5-21(6-8-22)11-14-1-3-17-18(9-14)28-13-27-17/h1-4,9-10,12H,5-8,11,13H2