5-bromanyl-2-butoxy-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOCC

InChI

InChI=1S/C22H27BrN2O4S/c1-3-5-11-29-20-10-9-16(23)14-19(20)21(26)25-22(30)24-17-7-6-8-18(15-17)28-13-12-27-4-2/h6-10,14-15H,3-5,11-13H2,1-2H3,(H2,24,25,26,30)