5-bromanyl-2-hexoxy-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[2-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[2-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[[2-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C25H31BrN2O4S MolecularWeight: 535.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC3CCCO3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCC3CCCO3

InChI

InChI=1S/C25H31BrN2O4S/c1-2-3-4-7-14-31-22-13-12-18(26)16-20(22)24(29)28-25(33)27-21-10-5-6-11-23(21)32-17-19-9-8-15-30-19/h5-6,10-13,16,19H,2-4,7-9,14-15,17H2,1H3,(H2,27,28,29,33)