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

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]thiadiazole-4-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-4-thiadiazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]thiadiazole-4-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]thiadiazole-4-carboxamide Formula: C15H17FN4O2S2 MolecularWeight: 368.449483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSN=N2)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSN=N2)F

InChI

InChI=1S/C15H17FN4O2S2/c1-2-3-4-7-22-13-6-5-10(8-11(13)16)17-15(23)18-14(21)12-9-24-20-19-12/h5-6,8-9H,2-4,7H2,1H3,(H2,17,18,21,23)