N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-ethoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-5-29-16-8-6-7-14(11-16)20(28)24-21(31)26-25-19(27)13-30-18-10-9-15(12-17(18)23)22(2,3)4/h6-12H,5,13H2,1-4H3,(H,25,27)(H2,24,26,28,31)