N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-keto-3-[2-(piperonylthiocarbamoyl)pyrazolidin-1-yl]propyl]-4-nitro-benzamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c28-20(8-9-23-21(29)16-3-5-17(6-4-16)27(30)31)25-10-1-11-26(25)22(34)24-13-15-2-7-18-19(12-15)33-14-32-18/h2-7,12H,1,8-11,13-14H2,(H,23,29)(H,24,34)