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

Systemtic Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-(p-tolylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]-2-piperazinyl]ethanol IUPAC Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1,4-dithiepan-6-yl)-1-(4-methylbenzyl)piperazin-2-yl]ethanol Formula: C19H30N2OS2 MolecularWeight: 366.5843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2CCO)C3CSCCSC3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(C[C@@H]2CCO)C3CSCCSC3

InChI

InChI=1S/C19H30N2OS2/c1-16-2-4-17(5-3-16)12-20-7-8-21(13-18(20)6-9-22)19-14-23-10-11-24-15-19/h2-5,18-19,22H,6-15H2,1H3/t18-/m0/s1