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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-chloranylphenoxy)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-chlorophenoxy)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-chlorophenoxy)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(2-chlorophenoxy)acetamide Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O4S2/c22-18-7-3-4-8-19(18)29-15-20(26)24-21(30)23-16-9-11-17(12-10-16)31(27,28)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H2,23,24,26,30)