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

Systemtic Name: 5-(4-bromophenyl)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-2-furamide Formula: C22H19BrN4O4S MolecularWeight: 515.37966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H19BrN4O4S/c23-16-3-1-15(2-4-16)19-9-10-20(31-19)21(28)24-22(32)26-13-11-25(12-14-26)17-5-7-18(8-6-17)27(29)30/h1-10H,11-14H2,(H,24,28,32)