N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C16H16BrN3O3S2 MolecularWeight: 442.35054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CS2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CS2)Br

InChI

InChI=1S/C16H16BrN3O3S2/c1-2-10-5-6-12(11(17)8-10)23-9-14(21)19-20-16(24)18-15(22)13-4-3-7-25-13/h3-8H,2,9H2,1H3,(H,19,21)(H2,18,20,22,24)