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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2=C3C(=CC=C2)OCCCO3

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2=C3C(=CC=C2)OCCCO3

InChI

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