[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

InChI

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