N-(2,3-dimethylbutyl)-3-(2-methoxyphenyl)sulfanyl-2,4-dihydro-1,5-benzoxathiepin-3-amine

Systemtic Name: N-(2,3-dimethylbutyl)-3-(2-methoxyphenyl)sulfanyl-2,4-dihydro-1,5-benzoxathiepin-3-amine Openeye Name: N-(2,3-dimethylbutyl)-3-(2-methoxyphenyl)sulfanyl-2,4-dihydro-1,5-benzoxathiepin-3-amine CAS Name: N-(2,3-dimethylbutyl)-3-[(2-methoxyphenyl)thio]-2,4-dihydro-1,5-benzoxathiepin-3-amine IUPAC Name: N-(2,3-dimethylbutyl)-3-(2-methoxyphenyl)sulfanyl-2,4-dihydro-1,5-benzoxathiepin-3-amine Traditional Name: 2,3-dimethylbutyl-[3-[(2-methoxyphenyl)thio]-2,4-dihydro-1,5-benzoxathiepin-3-yl]amine Formula: C22H29NO2S2 MolecularWeight: 403.60116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)CNC1(COC2=CC=CC=C2SC1)SC3=CC=CC=C3OC

Isomeric SMILES

CC(C)C(C)CNC1(COC2=CC=CC=C2SC1)SC3=CC=CC=C3OC

InChI

InChI=1S/C22H29NO2S2/c1-16(2)17(3)13-23-22(27-21-12-8-5-9-18(21)24-4)14-25-19-10-6-7-11-20(19)26-15-22/h5-12,16-17,23H,13-15H2,1-4H3