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

Systemtic Name: 2-(2-bromanyl-4-ethyl-phenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-morpholinosulfonylphenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-ethylphenoxy)-N-[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-ethylphenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)-N-[(4-morpholinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C21H24BrN3O5S2 MolecularWeight: 542.46636

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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)N3CCOCC3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Br

InChI

InChI=1S/C21H24BrN3O5S2/c1-2-15-3-8-19(18(22)13-15)30-14-20(26)24-21(31)23-16-4-6-17(7-5-16)32(27,28)25-9-11-29-12-10-25/h3-8,13H,2,9-12,14H2,1H3,(H2,23,24,26,31)