N-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridyl]methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[6-(2,6-dimethyl-4-morpholinyl)-3-pyridinyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[6-(2,6-dimethylmorpholin-4-yl)pyridin-3-yl]methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[6-(2,6-dimethylmorpholino)-3-pyridyl]methyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=NC=C(C=C2)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-13-11-24(12-14(2)29-13)20-6-3-15(9-22-20)10-23-21(26)19-8-16-7-17(25(27)28)4-5-18(16)30-19/h3-9,13-14H,10-12H2,1-2H3,(H,23,26)