N-(azepan-1-ylcarbothioyl)-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-(3-methylphenoxy)ethanamide Openeye Name: N-(azepane-1-carbothioyl)-2-(3-methylphenoxy)acetamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-(azepane-1-carbothioyl)-2-(3-methylphenoxy)acetamide Traditional Name: N-(azepane-1-carbothioyl)-2-(3-methylphenoxy)acetamide Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C16H22N2O2S/c1-13-7-6-8-14(11-13)20-12-15(19)17-16(21)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10,12H2,1H3,(H,17,19,21)