(E)-3-(furan-2-yl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]acrylamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C=CC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C22H25N5O5S/c28-21(6-4-18-2-1-13-32-18)23-22(33)26-9-7-24(8-10-26)17-3-5-19(27(29)30)20(16-17)25-11-14-31-15-12-25/h1-6,13,16H,7-12,14-15H2,(H,23,28,33)/b6-4+