N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[oxo-(3-pyridinylmethylamino)methyl]-2-thiophenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-(pyridin-3-ylmethylcarbamoyl)thiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-(3-pyridylmethylcarbamoyl)-2-thienyl]-5-nitro-2-furamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C18H16N4O5S/c1-10-11(2)28-18(21-16(23)13-5-6-14(27-13)22(25)26)15(10)17(24)20-9-12-4-3-7-19-8-12/h3-8H,9H2,1-2H3,(H,20,24)(H,21,23)