N-(2,5-dimethylphenyl)azepane-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)azepane-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)azepane-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)azepane-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)azepane-1-carbothioamide Formula: C15H22N2S MolecularWeight: 262.41358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2S/c1-12-7-8-13(2)14(11-12)16-15(18)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,18)