3-bromanyl-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[4-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C28H28BrN3O4S MolecularWeight: 582.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C28H28BrN3O4S/c29-24-17-21(10-13-25(24)36-16-14-19-5-2-1-3-6-19)27(34)32-28(37)31-22-11-8-20(9-12-22)26(33)30-18-23-7-4-15-35-23/h1-3,5-6,8-13,17,23H,4,7,14-16,18H2,(H,30,33)(H2,31,32,34,37)