N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2,5-diethoxy-4-(tetrahydrofuran-2-ylmethylcarbamothioylamino)phenyl]-2-fluoro-benzamide CAS Name: N-[2,5-diethoxy-4-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2,5-diethoxy-4-(oxolan-2-ylmethylcarbamothioylamino)phenyl]-2-fluorobenzamide Traditional Name: N-[2,5-diethoxy-4-(tetrahydrofurfurylthiocarbamoylamino)phenyl]-2-fluoro-benzamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OCC)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OCC)NC(=S)NCC3CCCO3

InChI

InChI=1S/C23H28FN3O4S/c1-3-29-20-13-19(27-23(32)25-14-15-8-7-11-31-15)21(30-4-2)12-18(20)26-22(28)16-9-5-6-10-17(16)24/h5-6,9-10,12-13,15H,3-4,7-8,11,14H2,1-2H3,(H,26,28)(H2,25,27,32)