N-(azepan-1-ylcarbothioyl)-2-(4-bromanyl-2-methyl-phenoxy)ethanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-(4-bromanyl-2-methyl-phenoxy)ethanamide Openeye Name: N-(azepane-1-carbothioyl)-2-(4-bromo-2-methyl-phenoxy)acetamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-(4-bromo-2-methylphenoxy)acetamide IUPAC Name: N-(azepane-1-carbothioyl)-2-(4-bromo-2-methylphenoxy)acetamide Traditional Name: N-(azepane-1-carbothioyl)-2-(4-bromo-2-methyl-phenoxy)acetamide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O2S/c1-12-10-13(17)6-7-14(12)21-11-15(20)18-16(22)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,20,22)