N-(3-nitrocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxidanylidene-3-piperidin-1-yl-propanamide

Systemtic Name: N-(3-nitrocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxidanylidene-3-piperidin-1-yl-propanamide Openeye Name: N-(3-nitrocarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-oxo-3-(1-piperidyl)propanamide CAS Name: N-[3-[nitro(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-oxo-3-(1-piperidinyl)propanamide IUPAC Name: N-(3-nitrocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-oxo-3-piperidin-1-ylpropanamide Traditional Name: 3-keto-N-(3-nitrocarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-piperidino-propionamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c21-13(10-14(22)19-8-4-1-5-9-19)18-16-15(17(23)20(24)25)11-6-2-3-7-12(11)26-16/h1-10H2,(H,18,21)