N-(azepan-1-ylcarbothioyl)-3-iodanyl-4-methoxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-iodanyl-4-methoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-iodo-4-methoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-iodo-4-methoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-iodo-4-methoxy-benzamide Formula: C15H19IN2O2S MolecularWeight: 418.29303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)I

InChI

InChI=1S/C15H19IN2O2S/c1-20-13-7-6-11(10-12(13)16)14(19)17-15(21)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9H2,1H3,(H,17,19,21)