N-(azepan-1-ylcarbothioyl)-3-ethoxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-ethoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-ethoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-ethoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-ethoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-ethoxy-benzamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-2-20-14-9-7-8-13(12-14)15(19)17-16(21)18-10-5-3-4-6-11-18/h7-9,12H,2-6,10-11H2,1H3,(H,17,19,21)