N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-4-methyl-thiadiazole-5-carboxamide Formula: C16H19FN4O2S2 MolecularWeight: 382.476063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=NS2)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=NS2)C)F

InChI

InChI=1S/C16H19FN4O2S2/c1-3-4-5-8-23-13-7-6-11(9-12(13)17)18-16(24)19-15(22)14-10(2)20-21-25-14/h6-7,9H,3-5,8H2,1-2H3,(H2,18,19,22,24)