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

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

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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)OCCOC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O4S/c1-2-3-14-33-24-13-12-19(27)17-23(24)25(30)29-26(34)28-20-8-7-11-22(18-20)32-16-15-31-21-9-5-4-6-10-21/h4-13,17-18H,2-3,14-16H2,1H3,(H2,28,29,30,34)