N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H16F6N4O3S MolecularWeight: 506.421459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F6N4O3S/c21-19(22,23)12-8-13(20(24,25)26)10-14(9-12)27-18(34)28-17(31)11-3-4-15(16(7-11)30(32)33)29-5-1-2-6-29/h3-4,7-10H,1-2,5-6H2,(H2,27,28,31,34)