ethyl 4-[[methyl(2-pyridin-2-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[methyl(2-pyridin-2-ylethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[methyl-[2-(2-pyridyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[methyl-[2-(2-pyridinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[methyl(2-pyridin-2-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[methyl-[2-(2-pyridyl)ethyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)CCC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)CCC2=CC=CC=N2

InChI

InChI=1S/C18H21N3O2S/c1-3-23-17(22)14-7-9-16(10-8-14)20-18(24)21(2)13-11-15-6-4-5-12-19-15/h4-10,12H,3,11,13H2,1-2H3,(H,20,24)