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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-propoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-propoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-propoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-propoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-propoxy-benzamide Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C17H24N2O2S/c1-2-12-21-15-9-7-8-14(13-15)16(20)18-17(22)19-10-5-3-4-6-11-19/h7-9,13H,2-6,10-12H2,1H3,(H,18,20,22)