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

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3CCCO3)Br

InChI

InChI=1S/C22H25BrN2O5S/c1-27-11-12-29-20-9-4-15(13-19(20)23)21(26)25-22(31)24-16-5-7-17(8-6-16)30-14-18-3-2-10-28-18/h4-9,13,18H,2-3,10-12,14H2,1H3,(H2,24,25,26,31)