N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-fluoranyl-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-fluoranyl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-fluoro-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-fluoro-benzamide Formula: C18H16ClFN4O3S MolecularWeight: 422.861043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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