3-bromanyl-4-methyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[2-(1-phenylethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C3=CC=CC=C3)Br

InChI

InChI=1S/C24H22BrN3O2S/c1-15-12-13-18(14-20(15)25)22(29)28-24(31)27-21-11-7-6-10-19(21)23(30)26-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,26,30)(H2,27,28,29,31)