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

Systemtic Name: 3-methyl-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]-3-methyl-phenol CAS Name: 3-methyl-2-[[3-(2-methylpropylamino)-2,4-dihydro-1,5-benzoxathiepin-3-yl]thio]phenol IUPAC Name: 3-methyl-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]-3-methyl-phenol Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S2/c1-14(2)11-21-20(25-19-15(3)7-6-8-16(19)22)12-23-17-9-4-5-10-18(17)24-13-20/h4-10,14,21-22H,11-13H2,1-3H3