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

Systemtic Name: 4-chloranyl-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[2-morpholino-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H16ClF3N4O4S MolecularWeight: 488.86795

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClF3N4O4S/c20-13-3-1-11(9-16(13)27(29)30)17(28)25-18(32)24-14-10-12(19(21,22)23)2-4-15(14)26-5-7-31-8-6-26/h1-4,9-10H,5-8H2,(H2,24,25,28,32)