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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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