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

Systemtic Name: 5-(4-bromophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C23H21BrN4O5S MolecularWeight: 545.40564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H21BrN4O5S/c1-32-17-6-7-18(19(14-17)28(30)31)26-10-12-27(13-11-26)23(34)25-22(29)21-9-8-20(33-21)15-2-4-16(24)5-3-15/h2-9,14H,10-13H2,1H3,(H,25,29,34)