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

Systemtic Name: 5-(4-bromophenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C27H28BrN5O4S MolecularWeight: 598.51132

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrN5O4S/c28-20-6-4-19(5-7-20)24-10-11-25(37-24)26(34)29-27(38)32-16-14-30(15-17-32)21-8-9-22(33(35)36)23(18-21)31-12-2-1-3-13-31/h4-11,18H,1-3,12-17H2,(H,29,34,38)