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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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