[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(3-fluoro-4-methyl-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-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H26FN4OS+ MolecularWeight: 401.520743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)C)F

InChI

InChI=1S/C21H25FN4OS/c1-16-8-9-18(14-19(16)22)23-20(27)15-28-21(24-17-6-4-3-5-7-17)26-12-10-25(2)11-13-26/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)/p+1