S-[(3-methyl-4-propan-2-yloxy-phenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(3-methyl-4-propan-2-yloxy-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-isopropoxy-3-methyl-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(3-methyl-4-propan-2-yloxyphenyl)methyl] ester IUPAC Name: S-[(3-methyl-4-propan-2-yloxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-isopropoxy-3-methyl-benzyl) ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2S/c1-14(2)21-17-9-8-16(12-15(17)3)13-22-18(20)19-10-6-4-5-7-11-19/h8-9,12,14H,4-7,10-11,13H2,1-3H3