N-[[2-chloranyl-4-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[2-chloranyl-4-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[2-chloro-4-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[2-chloro-4-(trifluoromethyl)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C17H13ClF3N3O4S MolecularWeight: 447.81603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClF3N3O4S/c1-2-28-14-6-3-9(7-13(14)24(26)27)15(25)23-16(29)22-12-5-4-10(8-11(12)18)17(19,20)21/h3-8H,2H2,1H3,(H2,22,23,25,29)