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

Systemtic Name: 5-(3,4-dimethylphenyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C28H31N5O5S MolecularWeight: 549.64124

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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-])N5CCOCC5)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-])N5CCOCC5)C

InChI

InChI=1S/C28H31N5O5S/c1-19-3-4-21(17-20(19)2)25-7-8-26(38-25)27(34)29-28(39)32-11-9-30(10-12-32)22-5-6-23(33(35)36)24(18-22)31-13-15-37-16-14-31/h3-8,17-18H,9-16H2,1-2H3,(H,29,34,39)