N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide

Systemtic Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide Openeye Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: N-[[4-[(2,6-dimethyl-4-morpholinyl)methyl]phenyl]methyl]-5-methyl-4-nitro-2-thiophenecarboxamide IUPAC Name: N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-[4-[(2,6-dimethylmorpholino)methyl]benzyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(S3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-13-10-22(11-14(2)27-13)12-17-6-4-16(5-7-17)9-21-20(24)19-8-18(23(25)26)15(3)28-19/h4-8,13-14H,9-12H2,1-3H3,(H,21,24)