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

Systemtic Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H17F3N4O4S MolecularWeight: 454.42289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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