[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-oxo-2-(thiazol-2-ylamino)ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-oxo-2-(2-thiazolylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-keto-2-(thiazol-2-ylamino)ethyl] ester Formula: C17H22N5OS2+ MolecularWeight: 376.51948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC=CS3

InChI

InChI=1S/C17H21N5OS2/c1-21-8-10-22(11-9-21)17(19-14-5-3-2-4-6-14)25-13-15(23)20-16-18-7-12-24-16/h2-7,12H,8-11,13H2,1H3,(H,18,20,23)/p+1