dimethyl 2-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(N-phenyl-C-piperidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[N-phenyl-C-(1-piperidyl)carbonimidoyl]sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[[phenylimino(1-piperidinyl)methyl]thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-phenyl-C-piperidin-1-ylcarbonimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(N-phenyl-C-piperidino-carbonimidoyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S/c1-31-22(29)17-11-12-19(23(30)32-2)20(15-17)26-21(28)16-33-24(27-13-7-4-8-14-27)25-18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,26,28)