N-(2-fluorophenyl)-3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-3-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide CAS Name: N-(2-fluorophenyl)-3-oxo-2-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-fluorophenyl)-3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-3-keto-2-[2-keto-2-(4-phenylpiperazino)ethyl]piperazine-1-carbothioamide Formula: C23H26FN5O2S MolecularWeight: 455.548243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4F

InChI

InChI=1S/C23H26FN5O2S/c24-18-8-4-5-9-19(18)26-23(32)29-11-10-25-22(31)20(29)16-21(30)28-14-12-27(13-15-28)17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,25,31)(H,26,32)