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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrN2O4S/c1-18(2)17-33-24-12-11-19(15-23(24)27)25(30)29-26(34)28-20-7-6-10-22(16-20)32-14-13-31-21-8-4-3-5-9-21/h3-12,15-16,18H,13-14,17H2,1-2H3,(H2,28,29,30,34)