ethanoic acid; 4-[2-[(2-methyl-4-phenyl-butan-2-yl)amino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol

Systemtic Name: ethanoic acid; 4-[2-[(2-methyl-4-phenyl-butan-2-yl)amino]-1-oxidanyl-ethyl]-2-methylsulfanyl-phenol Openeye Name: acetic acid; 4-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]-1-hydroxy-ethyl]-2-methylsulfanyl-phenol CAS Name: acetic acid; 4-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-2-(methylthio)phenol IUPAC Name: acetic acid; 4-[1-hydroxy-2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]-2-methylsulfanylphenol Traditional Name: acetic acid; 4-[2-[(1,1-dimethyl-3-phenyl-propyl)amino]-1-hydroxy-ethyl]-2-(methylthio)phenol Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)O

Isomeric SMILES

CC(=O)O.CC(C)(CCC1=CC=CC=C1)NCC(C2=CC(=C(C=C2)O)SC)O

InChI

InChI=1S/C20H27NO2S.C2H4O2/c1-20(2,12-11-15-7-5-4-6-8-15)21-14-18(23)16-9-10-17(22)19(13-16)24-3;1-2(3)4/h4-10,13,18,21-23H,11-12,14H2,1-3H3;1H3,(H,3,4)