3-bromanyl-4-butoxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(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)C(=O)NC(=S)NC2=CC=C(C=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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