N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]-1,3-dimethylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-1,3-dimethyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C20H23FN4O2S2 MolecularWeight: 434.550623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(S2)N(N=C3C)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(S2)N(N=C3C)C)F

InChI

InChI=1S/C20H23FN4O2S2/c1-4-5-6-9-27-16-8-7-13(10-15(16)21)22-20(28)23-18(26)17-11-14-12(2)24-25(3)19(14)29-17/h7-8,10-11H,4-6,9H2,1-3H3,(H2,22,23,26,28)