S-[(4-tert-butylphenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(4-tert-butylphenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-tert-butylbenzyl) ester Formula: C18H27NOS MolecularWeight: 305.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NOS/c1-18(2,3)16-10-8-15(9-11-16)14-21-17(20)19-12-6-4-5-7-13-19/h8-11H,4-7,12-14H2,1-3H3