[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazin-4-iumcarboximidothioic acid [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C18H25N6OS2+ MolecularWeight: 405.5607

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H24N6OS2/c1-3-16-21-22-17(27-16)20-15(25)13-26-18(19-14-7-5-4-6-8-14)24-11-9-23(2)10-12-24/h4-8H,3,9-13H2,1-2H3,(H,20,22,25)/p+1