N-(azepan-1-ylcarbothioyl)-4-pentoxy-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-pentoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-pentoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-pentoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-pentoxybenzamide Traditional Name: 4-amoxy-N-(azepane-1-carbothioyl)benzamide Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C19H28N2O2S/c1-2-3-8-15-23-17-11-9-16(10-12-17)18(22)20-19(24)21-13-6-4-5-7-14-21/h9-12H,2-8,13-15H2,1H3,(H,20,22,24)