2-methyl-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[[2-pyrrolidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide Formula: C20H19F3N4O3S MolecularWeight: 452.45007

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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=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C20H19F3N4O3S/c1-12-14(5-4-6-16(12)27(29)30)18(28)25-19(31)24-15-11-13(20(21,22)23)7-8-17(15)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,24,25,28,31)