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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-hexoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-hexoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-hexoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-hexoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-hexoxy-benzamide Formula: C20H30N2O2S MolecularWeight: 362.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C20H30N2O2S/c1-2-3-4-9-16-24-18-12-10-17(11-13-18)19(23)21-20(25)22-14-7-5-6-8-15-22/h10-13H,2-9,14-16H2,1H3,(H,21,23,25)