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

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioate Openeye Name: [2-(3-chloroanilino)-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-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C20H24ClN4OS+ MolecularWeight: 403.94876

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4OS/c1-24-10-12-25(13-11-24)20(23-17-7-3-2-4-8-17)27-15-19(26)22-18-9-5-6-16(21)14-18/h2-9,14H,10-13,15H2,1H3,(H,22,26)/p+1