[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C22H25N3O2S/c1-17(26)23-20-12-10-18(11-13-20)21(27)16-28-22(25-14-6-3-7-15-25)24-19-8-4-2-5-9-19/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,23,26)