N-(azepan-1-ylcarbothioyl)-5-bromanyl-2-ethoxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-5-bromanyl-2-ethoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-5-bromo-2-ethoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-5-bromo-2-ethoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-5-bromo-2-ethoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-5-bromo-2-ethoxy-benzamide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C16H21BrN2O2S/c1-2-21-14-8-7-12(17)11-13(14)15(20)18-16(22)19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10H2,1H3,(H,18,20,22)