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

Systemtic Name: 2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-6-propan-2-yl-phenol Openeye Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-6-isopropyl-phenol CAS Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]thio]-6-propan-2-ylphenol IUPAC Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]sulfanyl-6-propan-2-ylphenol Traditional Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]thio]-6-isopropyl-phenol Formula: C22H29NO2S2 MolecularWeight: 403.60116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)SCC(C)CC2CSC3=CC=CC=C3OC2N)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)SCC(C)CC2CSC3=CC=CC=C3OC2N)O

InChI

InChI=1S/C22H29NO2S2/c1-14(2)17-7-6-10-20(21(17)24)26-12-15(3)11-16-13-27-19-9-5-4-8-18(19)25-22(16)23/h4-10,14-16,22,24H,11-13,23H2,1-3H3