N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanyl-3-methyl-phenoxy)ethanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanyl-3-methyl-phenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromo-3-methyl-phenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(4-bromo-3-methylphenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromo-3-methylphenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(4-bromo-3-methyl-phenoxy)acetamide Formula: C22H26BrN3O4S2 MolecularWeight: 540.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

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