2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C22H26BrN3O4S2/c1-2-16-6-11-20(19(23)14-16)30-15-21(27)25-22(31)24-17-7-9-18(10-8-17)32(28,29)26-12-4-3-5-13-26/h6-11,14H,2-5,12-13,15H2,1H3,(H2,24,25,27,31)