2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]ethyl 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylate

Systemtic Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]ethyl 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylate Openeye Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]ethyl 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylate CAS Name: 4-(4-methoxyphenyl)-3-methyl-1-piperazinecarboxylic acid 2-[4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]ethyl 4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxylate Traditional Name: 4-(4-methoxyphenyl)-3-methyl-piperazine-1-carboxylic acid 2-[4-[2-(tert-butylthio)benzyl]piperazino]ethyl ester Formula: C30H44N4O3S MolecularWeight: 540.76036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)OCCN3CCN(CC3)CC4=CC=CC=C4SC(C)(C)C

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=O)OCCN3CCN(CC3)CC4=CC=CC=C4SC(C)(C)C

InChI

InChI=1S/C30H44N4O3S/c1-24-22-33(18-19-34(24)26-10-12-27(36-5)13-11-26)29(35)37-21-20-31-14-16-32(17-15-31)23-25-8-6-7-9-28(25)38-30(2,3)4/h6-13,24H,14-23H2,1-5H3