4-(4-chloranyl-2-nitro-phenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C18H18ClFN4O2S MolecularWeight: 408.877523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18ClFN4O2S/c19-14-3-6-16(17(11-14)24(25)26)22-7-9-23(10-8-22)18(27)21-12-13-1-4-15(20)5-2-13/h1-6,11H,7-10,12H2,(H,21,27)