N-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]carbonylthiomorpholine-4-carboxamide

Systemtic Name: N-[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]carbonylthiomorpholine-4-carboxamide Openeye Name: N-[4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoyl]thiomorpholine-4-carboxamide CAS Name: N-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-oxomethyl]-4-thiomorpholinecarboxamide IUPAC Name: N-[4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoyl]thiomorpholine-4-carboxamide Traditional Name: N-[4-[2-nitro-4-(trifluoromethyl)phenoxy]benzoyl]thiomorpholine-4-carboxamide Formula: C19H16F3N3O5S MolecularWeight: 455.40765

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)NC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CSCCN1C(=O)NC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16F3N3O5S/c20-19(21,22)13-3-6-16(15(11-13)25(28)29)30-14-4-1-12(2-5-14)17(26)23-18(27)24-7-9-31-10-8-24/h1-6,11H,7-10H2,(H,23,26,27)