N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(4-bromophenoxy)acetamide Formula: C21H24BrN3O4S2 MolecularWeight: 526.46696

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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=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S2/c22-16-5-9-18(10-6-16)29-15-20(26)24-21(30)23-17-7-11-19(12-8-17)31(27,28)25-13-3-1-2-4-14-25/h5-12H,1-4,13-15H2,(H2,23,24,26,30)