5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H22BrN3O3S/c1-20(2,3)18(26)22-13-6-5-7-14(11-13)23-19(28)24-17(25)15-10-12(21)8-9-16(15)27-4/h5-11H,1-4H3,(H,22,26)(H2,23,24,25,28)