N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[[4-(methylthio)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(methylthio)benzyl]amine Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H19NO2S/c1-21-15-6-3-13(4-7-15)12-18-14-5-8-16-17(11-14)20-10-2-9-19-16/h3-8,11,18H,2,9-10,12H2,1H3