N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-2-(4-pyridyl)thiazole-4-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-pyridin-4-yl-4-thiazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-2-(4-pyridyl)thiazole-4-carboxamide Formula: C21H21FN4O2S2 MolecularWeight: 444.545443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CC=NC=C3)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CC=NC=C3)F

InChI

InChI=1S/C21H21FN4O2S2/c1-2-3-4-11-28-18-6-5-15(12-16(18)22)24-21(29)26-19(27)17-13-30-20(25-17)14-7-9-23-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H2,24,26,27,29)