ethyl 4-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[N-phenyl-C-(1-piperidyl)carbonimidoyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[phenylimino(1-piperidinyl)methyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(N-phenyl-C-piperidin-1-ylcarbonimidoyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(N-phenyl-C-piperidino-carbonimidoyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-2-29-22(28)18-11-13-20(14-12-18)24-21(27)17-30-23(26-15-7-4-8-16-26)25-19-9-5-3-6-10-19/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H,24,27)