N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C28H30BrN3O4S2 MolecularWeight: 616.5895

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)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H30BrN3O4S2/c29-22-10-15-26(36-19-16-21-8-4-3-5-9-21)25(20-22)27(33)31-28(37)30-23-11-13-24(14-12-23)38(34,35)32-17-6-1-2-7-18-32/h3-5,8-15,20H,1-2,6-7,16-19H2,(H2,30,31,33,37)