3-bromanyl-4-hexoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(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)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C25H31BrN2O4S/c1-2-3-4-5-14-31-23-13-8-18(16-22(23)26)24(29)28-25(33)27-19-9-11-20(12-10-19)32-17-21-7-6-15-30-21/h8-13,16,21H,2-7,14-15,17H2,1H3,(H2,27,28,29,33)