S-[2-(4-methoxyphenyl)propan-2-yl] azepane-1-carbothioate

Systemtic Name: S-[2-(4-methoxyphenyl)propan-2-yl] azepane-1-carbothioate Openeye Name: S-[1-(4-methoxyphenyl)-1-methyl-ethyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[2-(4-methoxyphenyl)propan-2-yl] ester IUPAC Name: S-[2-(4-methoxyphenyl)propan-2-yl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-[1-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)OC)SC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)OC)SC(=O)N2CCCCCC2

InChI

InChI=1S/C17H25NO2S/c1-17(2,14-8-10-15(20-3)11-9-14)21-16(19)18-12-6-4-5-7-13-18/h8-11H,4-7,12-13H2,1-3H3