N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Openeye Name: N-[3-nitro-5-(p-tolylsulfanyl)phenyl]-5-(1-piperidylmethyl)furan-2-carboxamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-5-(1-piperidinylmethyl)-2-furancarboxamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide Traditional Name: N-[3-nitro-5-(p-tolylthio)phenyl]-5-(piperidinomethyl)-2-furamide Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=C(O3)CN4CCCCC4

InChI

InChI=1S/C24H25N3O4S/c1-17-5-8-21(9-6-17)32-22-14-18(13-19(15-22)27(29)30)25-24(28)23-10-7-20(31-23)16-26-11-3-2-4-12-26/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,25,28)