4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoyl-2-fluoranyl-phenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetyl-2-fluorophenyl)-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetyl-2-fluorophenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetyl-2-fluoro-phenyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H19FN4O3S/c1-13(25)14-2-7-18(17(20)12-14)22-8-10-23(11-9-22)19(28)21-15-3-5-16(6-4-15)24(26)27/h2-7,12H,8-11H2,1H3,(H,21,28)