5-nitro-N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide Openeye Name: 5-nitro-N-[3-(3-pyridylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide CAS Name: 5-nitro-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[3-(pyridin-3-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide Traditional Name: 5-nitro-N-[3-(3-pyridylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]-2-furamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CN=CC=C3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c26-19(15-8-9-17(30-15)25(28)29)24-21-18(14-6-2-1-3-7-16(14)31-21)20(27)23-12-13-5-4-10-22-11-13/h4-5,8-11H,1-3,6-7,12H2,(H,23,27)(H,24,26)