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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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