(E)-3-[3-nitro-4-[2-nitro-4-[(E)-3-oxidanylidene-3-piperazin-1-yl-prop-1-enyl]phenyl]sulfanyl-phenyl]-1-piperazin-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[3-nitro-4-[2-nitro-4-[(E)-3-oxidanylidene-3-piperazin-1-yl-prop-1-enyl]phenyl]sulfanyl-phenyl]-1-piperazin-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[3-nitro-4-[2-nitro-4-[(E)-3-oxo-3-piperazin-1-yl-prop-1-enyl]phenyl]sulfanyl-phenyl]-1-piperazin-1-yl-prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-[[2-nitro-4-[(E)-3-oxo-3-(1-piperazinyl)prop-1-enyl]phenyl]thio]phenyl]-1-(1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-[3-nitro-4-[2-nitro-4-[(E)-3-oxo-3-piperazin-1-ylprop-1-enyl]phenyl]sulfanylphenyl]-1-piperazin-1-ylprop-2-en-1-one Traditional Name: (E)-3-[4-[[4-[(E)-3-keto-3-piperazino-prop-1-enyl]-2-nitro-phenyl]thio]-3-nitro-phenyl]-1-piperazino-prop-2-en-1-one Formula: C26H28N6O6S MolecularWeight: 552.60212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C=CC2=CC(=C(C=C2)SC3=C(C=C(C=C3)C=CC(=O)N4CCNCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1NCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=C(C=C(C=C3)/C=C/C(=O)N4CCNCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O6S/c33-25(29-13-9-27-10-14-29)7-3-19-1-5-23(21(17-19)31(35)36)39-24-6-2-20(18-22(24)32(37)38)4-8-26(34)30-15-11-28-12-16-30/h1-8,17-18,27-28H,9-16H2/b7-3+,8-4+