N-(3-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-fluorophenyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-fluorophenyl)-4-nosyl-piperazine-1-carbothioamide Formula: C17H17FN4O4S2 MolecularWeight: 424.469683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC(=CC=C2)F)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN4O4S2/c18-13-2-1-3-14(12-13)19-17(27)20-8-10-21(11-9-20)28(25,26)16-6-4-15(5-7-16)22(23)24/h1-7,12H,8-11H2,(H,19,27)