N-[2-benzylsulfanyl-1-[[[(E)-but-2-enylidene]amino]carbamoyl]ethyl]-3,5-dinitro-benzamide

Molecular Formula: C₂₁H₂₁N₅O₆S

InChI: InChI=1/C21H21N5O6S/c1-2-3-9-22-24-21(28)19(14-33-13-15-7-5-4-6-8-15)23-20(27)16-10-17(25(29)30)12-18(11-16)26(31)32/h2-12,19H,13-14H2,1H3,(H,23,27)(H,24,28)/b3-2+,22-9+/f/h23-24H

InChIKey: InChIKey=FMLNKBHMVMCFPL-JZRCSDSUDL
SMILES: CC=CC=NNC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Names:
    N-[2-benzylsulfanyl-1-[[[(E)-but-2-enylidene]amino]carbamoyl]ethyl]-3,5-dinitro-benzamide

Registries:
    PubChem CID 9596995
    PubChem ID 11586451