5-bromanyl-2-ethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3

InChI

InChI=1S/C21H23BrN2O4S/c1-2-26-19-10-5-14(22)12-18(19)20(25)24-21(29)23-15-6-8-16(9-7-15)28-13-17-4-3-11-27-17/h5-10,12,17H,2-4,11,13H2,1H3,(H2,23,24,25,29)