1-[3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-4-(diphenylmethyl)piperazin-1-yl]propan-2-ol

Systemtic Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-4-(diphenylmethyl)piperazin-1-yl]propan-2-ol Openeye Name: 1-[4-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]piperazin-1-yl]propan-2-ol CAS Name: 1-[3-[2-(3,4-dimethoxyphenyl)ethylthio]-4-(diphenylmethyl)-1-piperazinyl]-2-propanol IUPAC Name: 1-[4-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]piperazin-1-yl]propan-2-ol Traditional Name: 1-[4-benzhydryl-3-(homoveratrylthio)piperazino]propan-2-ol Formula: C30H38N2O3S MolecularWeight: 506.69932

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(C(C1)SCCC2=CC(=C(C=C2)OC)OC)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC(CN1CCN(C(C1)SCCC2=CC(=C(C=C2)OC)OC)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C30H38N2O3S/c1-23(33)21-31-17-18-32(30(25-10-6-4-7-11-25)26-12-8-5-9-13-26)29(22-31)36-19-16-24-14-15-27(34-2)28(20-24)35-3/h4-15,20,23,29-30,33H,16-19,21-22H2,1-3H3