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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N4O5S/c1-16-4-5-18(14-17(16)2)22-8-9-23(34-22)24(30)26-25(35)28-12-10-27(11-13-28)20-7-6-19(33-3)15-21(20)29(31)32/h4-9,14-15H,10-13H2,1-3H3,(H,26,30,35)