5-(3-chloranyl-4-methyl-phenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C28H30ClN5O4S MolecularWeight: 568.0869

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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-])N5CCCCC5)Cl

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-])N5CCCCC5)Cl

InChI

InChI=1S/C28H30ClN5O4S/c1-19-5-6-20(17-22(19)29)25-9-10-26(38-25)27(35)30-28(39)33-15-13-31(14-16-33)21-7-8-23(34(36)37)24(18-21)32-11-3-2-4-12-32/h5-10,17-18H,2-4,11-16H2,1H3,(H,30,35,39)