2-[[1-(4-butoxyphenyl)-3-piperidin-1-yl-propyl]amino]-3-(phenylmethylsulfanyl)propan-1-ol

Systemtic Name: 2-[[1-(4-butoxyphenyl)-3-piperidin-1-yl-propyl]amino]-3-(phenylmethylsulfanyl)propan-1-ol Openeye Name: 3-benzylsulfanyl-2-[[1-(4-butoxyphenyl)-3-(1-piperidyl)propyl]amino]propan-1-ol CAS Name: 2-[[1-(4-butoxyphenyl)-3-(1-piperidinyl)propyl]amino]-3-(phenylmethylthio)-1-propanol IUPAC Name: 3-benzylsulfanyl-2-[[1-(4-butoxyphenyl)-3-piperidin-1-ylpropyl]amino]propan-1-ol Traditional Name: 3-(benzylthio)-2-[[1-(4-butoxyphenyl)-3-piperidino-propyl]amino]propan-1-ol Formula: C28H42N2O2S MolecularWeight: 470.71028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CCN2CCCCC2)NC(CO)CSCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(CCN2CCCCC2)NC(CO)CSCC3=CC=CC=C3

InChI

InChI=1S/C28H42N2O2S/c1-2-3-20-32-27-14-12-25(13-15-27)28(16-19-30-17-8-5-9-18-30)29-26(21-31)23-33-22-24-10-6-4-7-11-24/h4,6-7,10-15,26,28-29,31H,2-3,5,8-9,16-23H2,1H3