1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-[(2S)-2-(4-methoxyphenyl)-1-azepanyl]-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-2-[(4-methoxyphenyl)thio]ethanone Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCCCCN2C(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO3S/c1-25-18-9-7-17(8-10-18)21-6-4-3-5-15-23(21)22(24)16-27-20-13-11-19(26-2)12-14-20/h7-14,21H,3-6,15-16H2,1-2H3/t21-/m0/s1