N-[[2-[bis(fluoranyl)methoxy]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-[bis(fluoranyl)methoxy]phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[2-(difluoromethoxy)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(difluoromethoxy)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(difluoromethoxy)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H18F2N4O4S MolecularWeight: 436.432426

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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=C3OC(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3OC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F2N4O4S/c20-18(21)29-16-6-2-1-5-13(16)22-19(30)23-17(26)12-7-8-14(15(11-12)25(27)28)24-9-3-4-10-24/h1-2,5-8,11,18H,3-4,9-10H2,(H2,22,23,26,30)