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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C23H21BrN2O4S MolecularWeight: 501.39284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O4S/c1-28-21-11-10-16(24)14-20(21)22(27)26-23(31)25-17-6-5-9-19(15-17)30-13-12-29-18-7-3-2-4-8-18/h2-11,14-15H,12-13H2,1H3,(H2,25,26,27,31)