N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-bromanyl-4-ethyl-phenoxy)ethanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-bromanyl-4-ethyl-phenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-bromo-4-ethyl-phenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(2-bromo-4-ethylphenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-bromo-4-ethylphenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(2-bromo-4-ethyl-phenoxy)acetamide Formula: C23H28BrN3O4S2 MolecularWeight: 554.52012

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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)N3CCCCCC3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C23H28BrN3O4S2/c1-2-17-7-12-21(20(24)15-17)31-16-22(28)26-23(32)25-18-8-10-19(11-9-18)33(29,30)27-13-5-3-4-6-14-27/h7-12,15H,2-6,13-14,16H2,1H3,(H2,25,26,28,32)