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

Systemtic Name: ethyl 3-[[ethyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 3-[[ethyl(4-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 3-[[[ethyl(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[ethyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 3-[[ethyl(4-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=S)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=S)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C18H21N3O2S/c1-3-21(13-14-8-10-19-11-9-14)18(24)20-16-7-5-6-15(12-16)17(22)23-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,24)