N'-(1-isoquinolin-1-ylethyl)-4-phenyl-piperazine-1-carbothiohydrazide

Systemtic Name: N'-(1-isoquinolin-1-ylethyl)-4-phenyl-piperazine-1-carbothiohydrazide Openeye Name: N'-[1-(1-isoquinolyl)ethyl]-4-phenyl-piperazine-1-carbothiohydrazide CAS Name: N'-[1-(1-isoquinolinyl)ethyl]-4-phenyl-1-piperazinecarbothiohydrazide IUPAC Name: N'-(1-isoquinolin-1-ylethyl)-4-phenylpiperazine-1-carbothiohydrazide Traditional Name: N'-[1-(1-isoquinolyl)ethyl]-4-phenyl-piperazine-1-carbothiohydrazide Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5S/c1-17(21-20-10-6-5-7-18(20)11-12-23-21)24-25-22(28)27-15-13-26(14-16-27)19-8-3-2-4-9-19/h2-12,17,24H,13-16H2,1H3,(H,25,28)