4-(phenylhydrazinylidene)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(phenylhydrazinylidene)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioyl-cyclohexa-2,5-dien-1-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-(phenylhydrazono)cyclohexa-2,5-dien-1-one CAS Name: 4-(phenylhydrazinylidene)-2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-1-cyclohexa-2,5-dienone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-(phenylhydrazinylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbothioyl)-4-(phenylhydrazono)cyclohexa-2,5-dien-1-one Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC(=NNC4=CC=CC=C4)C=CC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC(=NNC4=CC=CC=C4)C=CC3=O

InChI

InChI=1S/C24H24N4OS/c29-23-12-11-21(26-25-20-9-5-2-6-10-20)17-22(23)24(30)28-15-13-27(14-16-28)18-19-7-3-1-4-8-19/h1-12,17,25H,13-16,18H2/p+1