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

Systemtic Name: ethyl 4-[pyridin-4-ylmethyl(thiophen-2-ylcarbonylcarbamothioyl)amino]benzoate Openeye Name: ethyl 4-[4-pyridylmethyl(thiophene-2-carbonylcarbamothioyl)amino]benzoate CAS Name: 4-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[pyridin-4-ylmethyl(thiophene-2-carbonylcarbamothioyl)amino]benzoate Traditional Name: 4-[4-pyridylmethyl(2-thenoylthiocarbamoyl)amino]benzoic acid ethyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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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)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19N3O3S2/c1-2-27-20(26)16-5-7-17(8-6-16)24(14-15-9-11-22-12-10-15)21(28)23-19(25)18-4-3-13-29-18/h3-13H,2,14H2,1H3,(H,23,25,28)