4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-N-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-keto-2-(4-methylpiperazino)ethyl]-N-phenyl-piperazin-4-ium-1-carbothioamide Formula: C18H28N5OS+ MolecularWeight: 362.51282

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H27N5OS/c1-20-7-11-22(12-8-20)17(24)15-21-9-13-23(14-10-21)18(25)19-16-5-3-2-4-6-16/h2-6H,7-15H2,1H3,(H,19,25)/p+1