N-(1-benzothiophen-2-ylmethyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-2-oxidanylidene-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-oxo-6-(4-thiomorpholin-4-iumylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-oxo-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-keto-6-(thiomorpholin-4-ium-4-ylmethyl)-1H-pyridine-3-carboxamide Formula: C20H22N3O2S2+ MolecularWeight: 400.53758

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O2S2/c24-19(21-12-16-11-14-3-1-2-4-18(14)27-16)17-6-5-15(22-20(17)25)13-23-7-9-26-10-8-23/h1-6,11H,7-10,12-13H2,(H,21,24)(H,22,25)/p+1