5-bromanyl-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-(2-methoxyethoxy)-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O4S/c1-31-15-16-33-24-13-12-20(27)17-23(24)25(30)29-26(34)28-21-10-5-11-22(18-21)32-14-6-9-19-7-3-2-4-8-19/h2-5,7-8,10-13,17-18H,6,9,14-16H2,1H3,(H2,28,29,30,34)