N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H16F3N3O4S MolecularWeight: 451.41895

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16F3N3O4S/c21-20(22,23)13-1-3-16(25-5-7-30-8-6-25)15(11-13)24-19(27)18-10-12-9-14(26(28)29)2-4-17(12)31-18/h1-4,9-11H,5-8H2,(H,24,27)