S-[(4-ethylphenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(4-ethylphenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-ethylphenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-ethylphenyl)methyl] ester IUPAC Name: S-[(4-ethylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-ethylbenzyl) ester Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

InChI

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