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

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-5-(3-nitrophenyl)-2-furamide Formula: C23H21N5O7S MolecularWeight: 511.50714

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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(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O7S/c1-34-17-5-6-18(19(14-17)28(32)33)25-9-11-26(12-10-25)23(36)24-22(29)21-8-7-20(35-21)15-3-2-4-16(13-15)27(30)31/h2-8,13-14H,9-12H2,1H3,(H,24,29,36)