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

Systemtic Name: 3-bromanyl-N-[[2-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[2-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[2-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[2-(dimethylcarbamoyl)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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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=C2C(=O)N(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)12-28-18-10-9-14(11-16(18)22)19(26)24-21(29)23-17-8-6-5-7-15(17)20(27)25(3)4/h5-11,13H,12H2,1-4H3,(H2,23,24,26,29)