5-(2-nitrophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-(2-nitrophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(2-nitrophenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(2-nitrophenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2-nitrophenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(2-nitrophenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C27H28N6O6S MolecularWeight: 564.61282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H28N6O6S/c34-26(25-11-10-24(39-25)20-6-2-3-7-21(20)32(35)36)28-27(40)31-16-14-29(15-17-31)19-8-9-22(33(37)38)23(18-19)30-12-4-1-5-13-30/h2-3,6-11,18H,1,4-5,12-17H2,(H,28,34,40)