5-bromanyl-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-morpholin-4-ylcarbonylphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H26BrN3O4S MolecularWeight: 568.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H26BrN3O4S/c28-21-9-10-24(35-14-11-19-5-2-1-3-6-19)23(18-21)25(32)30-27(36)29-22-8-4-7-20(17-22)26(33)31-12-15-34-16-13-31/h1-10,17-18H,11-16H2,(H2,29,30,32,36)