N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-[4-(2-furoyl)piperazino]phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O6S/c1-34-20-9-4-16(15-19(20)29(32)33)22(30)26-24(36)25-17-5-7-18(8-6-17)27-10-12-28(13-11-27)23(31)21-3-2-14-35-21/h2-9,14-15H,10-13H2,1H3,(H2,25,26,30,36)