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

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-butoxy-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-butoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-butoxybenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-butoxybenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-butoxy-benzamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C18H26N2O2S/c1-2-3-13-22-16-10-8-9-15(14-16)17(21)19-18(23)20-11-6-4-5-7-12-20/h8-10,14H,2-7,11-13H2,1H3,(H,19,21,23)