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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-2-furamide Formula: C24H24N4O4S MolecularWeight: 464.53676

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4S/c1-16-3-4-18(15-17(16)2)21-9-10-22(32-21)23(29)25-24(33)27-13-11-26(12-14-27)19-5-7-20(8-6-19)28(30)31/h3-10,15H,11-14H2,1-2H3,(H,25,29,33)