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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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