N-(6-ethyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(6-ethyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-[6-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[6-ethyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[6-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[6-ethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-2-13-6-7-14-16(12-13)30-20(18(14)21(26)23-10-4-3-5-11-23)22-19(25)15-8-9-17(29-15)24(27)28/h8-9,13H,2-7,10-12H2,1H3,(H,22,25)