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

Systemtic Name: 3-(2-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Openeye Name: N-isobutyl-3-(2-methoxyphenyl)sulfanyl-2,4-dihydro-1,5-benzoxathiepin-3-amine CAS Name: 3-[(2-methoxyphenyl)thio]-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine IUPAC Name: 3-(2-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-2,4-dihydro-1,5-benzoxathiepin-3-amine Traditional Name: isobutyl-[3-[(2-methoxyphenyl)thio]-2,4-dihydro-1,5-benzoxathiepin-3-yl]amine Formula: C20H25NO2S2 MolecularWeight: 375.548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2S2/c1-15(2)12-21-20(25-19-11-7-4-8-16(19)22-3)13-23-17-9-5-6-10-18(17)24-14-20/h4-11,15,21H,12-14H2,1-3H3