3-bromanyl-4-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-4-methyl-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=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O2S/c1-12(2)10-18(25)22-15-6-8-16(9-7-15)23-20(27)24-19(26)14-5-4-13(3)17(21)11-14/h4-9,11-12H,10H2,1-3H3,(H,22,25)(H2,23,24,26,27)