ethyl 4-[2-phenylethanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[2-phenylethanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(2-phenylacetyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-phenylacetyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(2-phenylacetyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H23N3O3S/c1-2-30-23(29)20-10-12-21(13-11-20)27(17-19-9-6-14-25-16-19)24(31)26-22(28)15-18-7-4-3-5-8-18/h3-14,16H,2,15,17H2,1H3,(H,26,28,31)