butyl 2-[3-[4-(diphenylmethyl)piperazin-1-yl]propylsulfanyl]ethanoate

Systemtic Name: butyl 2-[3-[4-(diphenylmethyl)piperazin-1-yl]propylsulfanyl]ethanoate Openeye Name: butyl 2-[3-(4-benzhydrylpiperazin-1-yl)propylsulfanyl]acetate CAS Name: 2-[3-[4-(diphenylmethyl)-1-piperazinyl]propylthio]acetic acid butyl ester IUPAC Name: butyl 2-[3-(4-benzhydrylpiperazin-1-yl)propylsulfanyl]acetate Traditional Name: 2-[3-(4-benzhydrylpiperazino)propylthio]acetic acid butyl ester Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSCCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CSCCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H36N2O2S/c1-2-3-20-30-25(29)22-31-21-10-15-27-16-18-28(19-17-27)26(23-11-6-4-7-12-23)24-13-8-5-9-14-24/h4-9,11-14,26H,2-3,10,15-22H2,1H3