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

Systemtic Name: ethyl 4-[(3-fluorophenyl)carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-fluorobenzoyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorobenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(3-fluorobenzoyl)thiocarbamoyl-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H20FN3O3S MolecularWeight: 437.486603

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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(=CC=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN3O3S/c1-2-30-22(29)17-6-8-20(9-7-17)27(15-16-10-12-25-13-11-16)23(31)26-21(28)18-4-3-5-19(24)14-18/h3-14H,2,15H2,1H3,(H,26,28,31)