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

Systemtic Name: 5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-13(2)29-18-10-9-14(23)11-17(18)19(27)26-21(30)25-16-8-6-7-15(12-16)24-20(28)22(3,4)5/h6-13H,1-5H3,(H,24,28)(H2,25,26,27,30)