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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanyl-2-chloranyl-phenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromo-2-chloro-phenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(4-bromo-2-chlorophenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromo-2-chlorophenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(4-bromo-2-chloro-phenoxy)acetamide Formula: C21H23BrClN3O4S2 MolecularWeight: 560.91202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H23BrClN3O4S2/c22-15-5-10-19(18(23)13-15)30-14-20(27)25-21(31)24-16-6-8-17(9-7-16)32(28,29)26-11-3-1-2-4-12-26/h5-10,13H,1-4,11-12,14H2,(H2,24,25,27,31)