5-nitro-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

Systemtic Name: 5-nitro-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: 5-nitro-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: 5-nitro-N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: 5-nitro-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: 5-nitro-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H18N4O5S/c25-18(14-7-8-16(29-14)24(27)28)23-20-17(13-5-1-2-6-15(13)30-20)19(26)22-11-12-4-3-9-21-10-12/h3-4,7-10H,1-2,5-6,11H2,(H,22,26)(H,23,25)