N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H16ClFN4O2S MolecularWeight: 394.850943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN4O2S/c18-15-11-12(1-6-16(15)19)20-17(26)22-9-7-21(8-10-22)13-2-4-14(5-3-13)23(24)25/h1-6,11H,7-10H2,(H,20,26)