4,4-bis(4-methylsulfanylphenyl)-3-[[(2R)-2-oxidanyl-3-phenoxy-propyl]amino]butan-1-ol

Systemtic Name: 4,4-bis(4-methylsulfanylphenyl)-3-[[(2R)-2-oxidanyl-3-phenoxy-propyl]amino]butan-1-ol Openeye Name: 3-[[(2R)-2-hydroxy-3-phenoxy-propyl]amino]-4,4-bis(4-methylsulfanylphenyl)butan-1-ol CAS Name: 3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-4,4-bis[4-(methylthio)phenyl]-1-butanol IUPAC Name: 3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-4,4-bis(4-methylsulfanylphenyl)butan-1-ol Traditional Name: 3-[[(2R)-2-hydroxy-3-phenoxy-propyl]amino]-4,4-bis[4-(methylthio)phenyl]butan-1-ol Formula: C27H33NO3S2 MolecularWeight: 483.68582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)C(CCO)NCC(COC3=CC=CC=C3)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)C(CCO)NC[C@H](COC3=CC=CC=C3)O

InChI

InChI=1S/C27H33NO3S2/c1-32-24-12-8-20(9-13-24)27(21-10-14-25(33-2)15-11-21)26(16-17-29)28-18-22(30)19-31-23-6-4-3-5-7-23/h3-15,22,26-30H,16-19H2,1-2H3/t22-,26?/m1/s1