3-bromanyl-4-tert-butyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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