2-methyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H19F3N4O4S MolecularWeight: 468.44947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3

InChI

InChI=1S/C20H19F3N4O4S/c1-12-14(3-2-4-16(12)27(29)30)18(28)25-19(32)24-15-11-13(20(21,22)23)5-6-17(15)26-7-9-31-10-8-26/h2-6,11H,7-10H2,1H3,(H2,24,25,28,32)