4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C18H18ClFN4O2S MolecularWeight: 408.877523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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