3-[2-[(2-methoxyphenyl)sulfanylmethyl]butyl]-3,4-dihydro-2H-1,5-benzoxathiepin-2-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC=C3OC

Isomeric SMILES

CCC(CC1CSC2=CC=CC=C2OC1N)CSC3=CC=CC=C3OC

InChI

InChI=1S/C21H27NO2S2/c1-3-15(13-25-19-10-6-4-8-17(19)23-2)12-16-14-26-20-11-7-5-9-18(20)24-21(16)22/h4-11,15-16,21H,3,12-14,22H2,1-2H3