ethyl 4-[2-phenoxyethanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-phenoxyethanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-phenoxyacetyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-phenoxyacetyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(2-phenoxyacetyl)thiocarbamoyl-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O4S/c1-2-30-23(29)19-8-10-20(11-9-19)27(16-18-12-14-25-15-13-18)24(32)26-22(28)17-31-21-6-4-3-5-7-21/h3-15H,2,16-17H2,1H3,(H,26,28,32)