(2-oxidanylidene-2-phenylazanyl-ethyl) 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: (2-anilino-2-oxo-ethyl) 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid (2-anilino-2-keto-ethyl) ester Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H24N4OS/c1-23-12-14-24(15-13-23)20(22-18-10-6-3-7-11-18)26-16-19(25)21-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,21,25)/p+1