[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1CCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3OS/c1-23-11-13-24(14-12-23)20(22-18-5-3-2-4-6-18)26-15-19(25)16-7-9-17(21)10-8-16/h2-10H,11-15H2,1H3