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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

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