2-[4-(1,4-dithiepan-6-yl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-2-yl]ethanol

Systemtic Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-2-yl]ethanol CAS Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[4-(1,4-dithiepan-6-yl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[4-(1,4-dithiepan-6-yl)-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-2-yl]ethanol Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)C3CSCCSC3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CCN(CC2CCO)C3CSCCSC3

InChI

InChI=1S/C21H34N2O2S2/c1-16-17(2)21(25-3)5-4-18(16)12-22-7-8-23(13-19(22)6-9-24)20-14-26-10-11-27-15-20/h4-5,19-20,24H,6-15H2,1-3H3