S-[(2,5-dimethylphenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(2,5-dimethylphenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(2,5-dimethylphenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(2,5-dimethylphenyl)methyl] ester IUPAC Name: S-[(2,5-dimethylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(2,5-dimethylbenzyl) ester Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC(=O)N2CCCCCC2

InChI

InChI=1S/C16H23NOS/c1-13-7-8-14(2)15(11-13)12-19-16(18)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10,12H2,1-2H3