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

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[[4-(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)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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