N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-20(2,3)14-6-4-13(5-7-14)18(26)22-19(28)24-23-17(25)12-27-16-10-8-15(21)9-11-16/h4-11H,12H2,1-3H3,(H,23,25)(H2,22,24,26,28)