2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanylphenol

Systemtic Name: 2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanylphenol Openeye Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanylphenol CAS Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]thio]phenol IUPAC Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]sulfanylphenol Traditional Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]thio]phenol Formula: C19H23NO2S2 MolecularWeight: 361.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC=C3O

Isomeric SMILES

CC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC=C3O

InChI

InChI=1S/C19H23NO2S2/c1-13(11-23-17-8-4-2-6-15(17)21)10-14-12-24-18-9-5-3-7-16(18)22-19(14)20/h2-9,13-14,19,21H,10-12,20H2,1H3