3-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-4-methyl-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-12-8-9-13(10-16(12)21)17(25)24-19(27)23-15-7-5-6-14(11-15)22-18(26)20(2,3)4/h5-11H,1-4H3,(H,22,26)(H2,23,24,25,27)