N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-fluoranyl-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-4-fluoranyl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-fluoro-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-fluorobenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-fluoro-benzamide Formula: C18H16ClFN4O3S MolecularWeight: 422.861043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16ClFN4O3S/c19-15-11-14(24(26)27)5-6-16(15)22-7-9-23(10-8-22)18(28)21-17(25)12-1-3-13(20)4-2-12/h1-6,11H,7-10H2,(H,21,25,28)