methyl 2-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[N-phenyl-C-(1-piperidyl)carbonimidoyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[phenylimino(1-piperidinyl)methyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(N-phenyl-C-piperidin-1-ylcarbonimidoyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(N-phenyl-C-piperidino-carbonimidoyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C22H25N3O3S/c1-28-21(27)18-12-6-7-13-19(18)24-20(26)16-29-22(25-14-8-3-9-15-25)23-17-10-4-2-5-11-17/h2,4-7,10-13H,3,8-9,14-16H2,1H3,(H,24,26)