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

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C19H17F3N4O4S MolecularWeight: 454.42289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O4S/c20-19(21,22)13-3-6-16(25-7-9-30-10-8-25)15(11-13)23-18(31)24-17(27)12-1-4-14(5-2-12)26(28)29/h1-6,11H,7-10H2,(H2,23,24,27,31)