N-(2-propan-2-ylphenyl)azepane-1-carbothioamide

Systemtic Name: N-(2-propan-2-ylphenyl)azepane-1-carbothioamide Openeye Name: N-(2-isopropylphenyl)azepane-1-carbothioamide CAS Name: N-(2-propan-2-ylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(2-propan-2-ylphenyl)azepane-1-carbothioamide Traditional Name: N-o-cumenylazepane-1-carbothioamide Formula: C16H24N2S MolecularWeight: 276.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)N2CCCCCC2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)N2CCCCCC2

InChI

InChI=1S/C16H24N2S/c1-13(2)14-9-5-6-10-15(14)17-16(19)18-11-7-3-4-8-12-18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,17,19)