N-(azepan-1-ylcarbothioyl)-2-(3-methyl-4-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-(3-methyl-4-propan-2-yl-phenoxy)ethanamide Openeye Name: N-(azepane-1-carbothioyl)-2-(4-isopropyl-3-methyl-phenoxy)acetamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide IUPAC Name: N-(azepane-1-carbothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide Traditional Name: N-(azepane-1-carbothioyl)-2-(4-isopropyl-3-methyl-phenoxy)acetamide Formula: C19H28N2O2S MolecularWeight: 348.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2S/c1-14(2)17-9-8-16(12-15(17)3)23-13-18(22)20-19(24)21-10-6-4-5-7-11-21/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,22,24)