3-(2-methoxyphenyl)sulfanyl-7-methyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine

Systemtic Name: 3-(2-methoxyphenyl)sulfanyl-7-methyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Openeye Name: N-isobutyl-3-(2-methoxyphenyl)sulfanyl-7-methyl-2,4-dihydro-1,5-benzoxathiepin-3-amine CAS Name: 3-[(2-methoxyphenyl)thio]-7-methyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine IUPAC Name: 3-(2-methoxyphenyl)sulfanyl-7-methyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Traditional Name: isobutyl-[3-[(2-methoxyphenyl)thio]-7-methyl-2,4-dihydro-1,5-benzoxathiepin-3-yl]amine Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(CS2)(NCC(C)C)SC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(CS2)(NCC(C)C)SC3=CC=CC=C3OC

InChI

InChI=1S/C21H27NO2S2/c1-15(2)12-22-21(26-19-8-6-5-7-17(19)23-4)13-24-18-10-9-16(3)11-20(18)25-14-21/h5-11,15,22H,12-14H2,1-4H3