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

Systemtic Name: 2-[4-(1,4-dithiepan-6-yl)-1-(phenylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[1-benzyl-4-(1,4-dithiepan-6-yl)piperazin-2-yl]ethanol CAS Name: 2-[4-(1,4-dithiepan-6-yl)-1-(phenylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[1-benzyl-4-(1,4-dithiepan-6-yl)piperazin-2-yl]ethanol Traditional Name: 2-[1-benzyl-4-(1,4-dithiepan-6-yl)piperazin-2-yl]ethanol Formula: C18H28N2OS2 MolecularWeight: 352.55772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2CSCCSC2)CCO)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(CN1C2CSCCSC2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N2OS2/c21-9-6-17-13-20(18-14-22-10-11-23-15-18)8-7-19(17)12-16-4-2-1-3-5-16/h1-5,17-18,21H,6-15H2