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

Systemtic Name: 5-(2,4-dichlorophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(2,4-dichlorophenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(2,4-dichlorophenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2,4-dichlorophenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(2,4-dichlorophenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C27H27Cl2N5O4S MolecularWeight: 588.50538

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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=C(C=C(C=C5)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H27Cl2N5O4S/c28-18-4-6-20(21(29)16-18)24-8-9-25(38-24)26(35)30-27(39)33-14-12-31(13-15-33)19-5-7-22(34(36)37)23(17-19)32-10-2-1-3-11-32/h4-9,16-17H,1-3,10-15H2,(H,30,35,39)