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

Systemtic Name: 3-bromanyl-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-4-isopropoxy-N-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C25H25BrN2O4S MolecularWeight: 529.446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrN2O4S/c1-17(2)32-23-12-11-18(15-22(23)26)24(29)28-25(33)27-19-7-6-10-21(16-19)31-14-13-30-20-8-4-3-5-9-20/h3-12,15-17H,13-14H2,1-2H3,(H2,27,28,29,33)