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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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