2,6-bis(butan-2-ylsulfanyl)-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 2,6-bis(butan-2-ylsulfanyl)-4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]phenol Openeye Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-2,6-bis(sec-butylsulfanyl)phenol CAS Name: 2,6-bis(butan-2-ylthio)-4-[[4-(diphenylmethyl)-1-piperazinyl]methyl]phenol IUPAC Name: 4-[(4-benzhydrylpiperazin-1-yl)methyl]-2,6-bis(butan-2-ylsulfanyl)phenol Traditional Name: 4-[(4-benzhydrylpiperazino)methyl]-2,6-bis(sec-butylthio)phenol Formula: C32H42N2OS2 MolecularWeight: 534.81868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC(=CC(=C1O)SC(C)CC)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)SC1=CC(=CC(=C1O)SC(C)CC)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H42N2OS2/c1-5-24(3)36-29-21-26(22-30(32(29)35)37-25(4)6-2)23-33-17-19-34(20-18-33)31(27-13-9-7-10-14-27)28-15-11-8-12-16-28/h7-16,21-22,24-25,31,35H,5-6,17-20,23H2,1-4H3