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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrN3O3S/c1-31-21-12-11-17(25)15-19(21)23(30)28-24(32)27-20-10-6-5-9-18(20)22(29)26-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,26,29)(H2,27,28,30,32)