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

Systemtic Name: 2-[3-(2-azanyl-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-3-methyl-phenol Openeye Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]sulfanyl-3-methyl-phenol CAS Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]thio]-3-methylphenol IUPAC Name: 2-[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methylpropyl]sulfanyl-3-methylphenol Traditional Name: 2-[[3-(2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl)-2-methyl-propyl]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)SCC(C)CC2CSC3=CC=CC=C3OC2N

Isomeric SMILES

CC1=C(C(=CC=C1)O)SCC(C)CC2CSC3=CC=CC=C3OC2N

InChI

InChI=1S/C20H25NO2S2/c1-13(11-25-19-14(2)6-5-7-16(19)22)10-15-12-24-18-9-4-3-8-17(18)23-20(15)21/h3-9,13,15,20,22H,10-12,21H2,1-2H3