N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetamide Formula: C25H32BrN3O4S2 MolecularWeight: 582.57328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H32BrN3O4S2/c1-17(2)21-15-22(26)18(3)14-23(21)33-16-24(30)28-25(34)27-19-8-10-20(11-9-19)35(31,32)29-12-6-4-5-7-13-29/h8-11,14-15,17H,4-7,12-13,16H2,1-3H3,(H2,27,28,30,34)