N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]propanamide

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]propanamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]propanamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)(C)C)Br

Isomeric SMILES

CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)(C)C)Br

InChI

InChI=1S/C16H22BrN3O3S/c1-5-13(21)18-15(24)20-19-14(22)9-23-12-7-6-10(8-11(12)17)16(2,3)4/h6-8H,5,9H2,1-4H3,(H,19,22)(H2,18,20,21,24)