N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylsulfanyl-aniline

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylsulfanyl-aniline Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylsulfanyl-aniline CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-(methylthio)aniline IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-methylsulfanylaniline Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl-[2-(methylthio)phenyl]amine Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CSC1=CC=CC=C1NCC2=C3C(=CC=C2)OCCCO3

InChI

InChI=1S/C17H19NO2S/c1-21-16-9-3-2-7-14(16)18-12-13-6-4-8-15-17(13)20-11-5-10-19-15/h2-4,6-9,18H,5,10-12H2,1H3