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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C29H30BrN3O3S MolecularWeight: 580.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30BrN3O3S/c30-23-12-15-26(36-19-16-21-8-4-3-5-9-21)25(20-23)27(34)32-29(37)31-24-13-10-22(11-14-24)28(35)33-17-6-1-2-7-18-33/h3-5,8-15,20H,1-2,6-7,16-19H2,(H2,31,32,34,37)