N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-chloranyl-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-chloro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H16ClF3N4O3S MolecularWeight: 472.86855

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClF3N4O3S/c20-12-4-5-14(13(10-12)19(21,22)23)24-18(31)25-17(28)11-3-6-15(16(9-11)27(29)30)26-7-1-2-8-26/h3-6,9-10H,1-2,7-8H2,(H2,24,25,28,31)