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

Systemtic Name: 3-bromanyl-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-4-propoxy-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-4-propoxy-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C22H25BrN2O4S/c1-2-11-28-20-10-5-15(13-19(20)23)21(26)25-22(30)24-16-6-8-17(9-7-16)29-14-18-4-3-12-27-18/h5-10,13,18H,2-4,11-12,14H2,1H3,(H2,24,25,26,30)