2-[2-[(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)methyl]butylsulfanyl]-6-methyl-phenol

Systemtic Name: 2-[2-[(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)methyl]butylsulfanyl]-6-methyl-phenol Openeye Name: 2-[2-[(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)methyl]butylsulfanyl]-6-methyl-phenol CAS Name: 2-[2-[(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)methyl]butylthio]-6-methylphenol IUPAC Name: 2-[2-[(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)methyl]butylsulfanyl]-6-methylphenol Traditional Name: 2-[2-[(3,4-dihydro-2H-1,5-benzoxathiepin-2-ylamino)methyl]butylthio]-6-methyl-phenol Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1CCSC2=CC=CC=C2O1)CSC3=CC=CC(=C3O)C

Isomeric SMILES

CCC(CNC1CCSC2=CC=CC=C2O1)CSC3=CC=CC(=C3O)C

InChI

InChI=1S/C21H27NO2S2/c1-3-16(14-26-19-10-6-7-15(2)21(19)23)13-22-20-11-12-25-18-9-5-4-8-17(18)24-20/h4-10,16,20,22-23H,3,11-14H2,1-2H3