2-methyl-6-[2-methyl-3-[(6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl)amino]propyl]sulfanyl-phenol

Systemtic Name: 2-methyl-6-[2-methyl-3-[(6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl)amino]propyl]sulfanyl-phenol Openeye Name: 2-methyl-6-[2-methyl-3-[(6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl)amino]propyl]sulfanyl-phenol CAS Name: 2-methyl-6-[[2-methyl-3-[(6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl)amino]propyl]thio]phenol IUPAC Name: 2-methyl-6-[2-methyl-3-[(6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl)amino]propyl]sulfanylphenol Traditional Name: 2-methyl-6-[[2-methyl-3-[(6-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-2-yl)amino]propyl]thio]phenol Formula: C21H27NO2S2 MolecularWeight: 389.57458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SCC(C)CNC2CCSC3=C(C=CC=C3O2)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)SCC(C)CNC2CCSC3=C(C=CC=C3O2)C)O

InChI

InChI=1S/C21H27NO2S2/c1-14(13-26-18-9-5-6-15(2)20(18)23)12-22-19-10-11-25-21-16(3)7-4-8-17(21)24-19/h4-9,14,19,22-23H,10-13H2,1-3H3