2-[[3-(2-methylpropylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]sulfanyl]phenol

Systemtic Name: 2-[[3-(2-methylpropylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]sulfanyl]phenol Openeye Name: 2-[[3-(isobutylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]sulfanyl]phenol CAS Name: 2-[[3-(2-methylpropylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]thio]phenol IUPAC Name: 2-[[3-(2-methylpropylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]sulfanyl]phenol Traditional Name: 2-[[3-(isobutylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]thio]phenol Formula: C19H23NO2S2 MolecularWeight: 361.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1(COC2=CC=CC=C2SC1)SC3=CC=CC=C3O

Isomeric SMILES

CC(C)CNC1(COC2=CC=CC=C2SC1)SC3=CC=CC=C3O

InChI

InChI=1S/C19H23NO2S2/c1-14(2)11-20-19(24-17-9-5-3-7-15(17)21)12-22-16-8-4-6-10-18(16)23-13-19/h3-10,14,20-21H,11-13H2,1-2H3