2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioic S-acid

Systemtic Name: 2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioic S-acid Openeye Name: 2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioic S-acid CAS Name: 2-[(4-ethoxyphenyl)methyl]-1-azepanecarbothioic S-acid IUPAC Name: 2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioic S-acid Traditional Name: 2-(4-ethoxybenzyl)azepane-1-carbothioic S-acid Formula: C16H23NO2S MolecularWeight: 293.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2CCCCCN2C(=O)S

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2CCCCCN2C(=O)S

InChI

InChI=1S/C16H23NO2S/c1-2-19-15-9-7-13(8-10-15)12-14-6-4-3-5-11-17(14)16(18)20/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)