N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-2-(4-tert-butylphenoxy)ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-2-(4-tert-butylphenoxy)ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-2-(4-tert-butylphenoxy)acetamide CAS Name: N-[(2,1,3-benzothiadiazol-4-ylamino)-sulfanylidenemethyl]-2-(4-tert-butylphenoxy)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-2-(4-tert-butylphenoxy)acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-(piazthiol-4-ylthiocarbamoyl)acetamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C19H20N4O2S2/c1-19(2,3)12-7-9-13(10-8-12)25-11-16(24)21-18(26)20-14-5-4-6-15-17(14)23-27-22-15/h4-10H,11H2,1-3H3,(H2,20,21,24,26)