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

Systemtic Name: N-[[2-chloranyl-4-(trifluoromethyl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[2-chloro-4-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-chloro-4-(trifluoromethyl)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C16H11ClF3N3O3S MolecularWeight: 417.79005

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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=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3N3O3S/c1-8-10(3-2-4-13(8)23(25)26)14(24)22-15(27)21-12-6-5-9(7-11(12)17)16(18,19)20/h2-7H,1H3,(H2,21,22,24,27)