2-[4-(1,4-dithiepan-6-yl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-ethoxyphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[4-(1,4-dithiepan-6-yl)-1-(4-ethoxybenzyl)piperazin-2-yl]ethanol Formula: C20H32N2O2S2 MolecularWeight: 396.61028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CSCCSC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CSCCSC3

InChI

InChI=1S/C20H32N2O2S2/c1-2-24-20-5-3-17(4-6-20)13-21-8-9-22(14-18(21)7-10-23)19-15-25-11-12-26-16-19/h3-6,18-19,23H,2,7-16H2,1H3