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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCSCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCSCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)OC

InChI

InChI=1S/C30H38N2O3S/c1-34-28-14-13-24(21-29(28)35-2)15-20-36-23-27(33)22-31-16-18-32(19-17-31)30(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-14,21,27,30,33H,15-20,22-23H2,1-2H3