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

Systemtic Name: 3-bromanyl-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[3-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O4S/c1-33-15-13-28-24(31)19-8-5-9-21(16-19)29-26(35)30-25(32)20-10-11-23(22(27)17-20)34-14-12-18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,28,31)(H2,29,30,32,35)