4-(dimethylamino)-N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide

Systemtic Name: 4-(dimethylamino)-N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide Openeye Name: 4-(dimethylamino)-N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide CAS Name: 4-(dimethylamino)-N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]-2-furo[3,2-c]pyridinecarboxamide IUPAC Name: 4-(dimethylamino)-N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]furo[3,2-c]pyridine-2-carboxamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-4-(dimethylamino)furo[3,2-c]pyridine-2-carboxamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CN=C3N(C)C)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CN=C3N(C)C)F

InChI

InChI=1S/C22H25FN4O3S/c1-4-5-6-11-29-18-8-7-14(12-16(18)23)25-22(31)26-21(28)19-13-15-17(30-19)9-10-24-20(15)27(2)3/h7-10,12-13H,4-6,11H2,1-3H3,(H2,25,26,28,31)