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

Systemtic Name: N-(6-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[6-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[6-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N3CCCCC3)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-12-5-6-13-15(11-12)29-19(17(13)20(25)22-9-3-2-4-10-22)21-18(24)14-7-8-16(28-14)23(26)27/h7-8,12H,2-6,9-11H2,1H3,(H,21,24)