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

Systemtic Name: 1,1-bis(4-methylsulfanylphenyl)-4-[(2-oxidanyl-3-phenoxy-propyl)amino]butan-1-ol Openeye Name: 4-[(2-hydroxy-3-phenoxy-propyl)amino]-1,1-bis(4-methylsulfanylphenyl)butan-1-ol CAS Name: 4-[(2-hydroxy-3-phenoxypropyl)amino]-1,1-bis[4-(methylthio)phenyl]-1-butanol IUPAC Name: 4-[(2-hydroxy-3-phenoxypropyl)amino]-1,1-bis(4-methylsulfanylphenyl)butan-1-ol Traditional Name: 4-[(2-hydroxy-3-phenoxy-propyl)amino]-1,1-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(CCCNCC(COC2=CC=CC=C2)O)(C3=CC=C(C=C3)SC)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(CCCNCC(COC2=CC=CC=C2)O)(C3=CC=C(C=C3)SC)O

InChI

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