N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(3-morpholinopropylcarbamothioylamino)phenyl]-2-fluoro-benzamide CAS Name: N-[2,5-diethoxy-4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-2-fluorobenzamide Traditional Name: N-[2,5-diethoxy-4-(3-morpholinopropylthiocarbamoylamino)phenyl]-2-fluoro-benzamide Formula: C25H33FN4O4S MolecularWeight: 504.617323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OCC)NC(=S)NCCCN3CCOCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OCC)NC(=S)NCCCN3CCOCC3

InChI

InChI=1S/C25H33FN4O4S/c1-3-33-22-17-21(29-25(35)27-10-7-11-30-12-14-32-15-13-30)23(34-4-2)16-20(22)28-24(31)18-8-5-6-9-19(18)26/h5-6,8-9,16-17H,3-4,7,10-15H2,1-2H3,(H,28,31)(H2,27,29,35)