3-[2-(methoxymethoxy)-6-methyl-phenyl]sulfanyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine

Systemtic Name: 3-[2-(methoxymethoxy)-6-methyl-phenyl]sulfanyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Openeye Name: N-isobutyl-3-[2-(methoxymethoxy)-6-methyl-phenyl]sulfanyl-2,4-dihydro-1,5-benzoxathiepin-3-amine CAS Name: 3-[[2-(methoxymethoxy)-6-methylphenyl]thio]-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine IUPAC Name: 3-[2-(methoxymethoxy)-6-methylphenyl]sulfanyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Traditional Name: isobutyl-[3-[[2-(methoxymethoxy)-6-methyl-phenyl]thio]-2,4-dihydro-1,5-benzoxathiepin-3-yl]amine Formula: C22H29NO3S2 MolecularWeight: 419.60056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCOC)SC2(COC3=CC=CC=C3SC2)NCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCOC)SC2(COC3=CC=CC=C3SC2)NCC(C)C

InChI

InChI=1S/C22H29NO3S2/c1-16(2)12-23-22(13-25-18-9-5-6-11-20(18)27-14-22)28-21-17(3)8-7-10-19(21)26-15-24-4/h5-11,16,23H,12-15H2,1-4H3