N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-2-(phenylmethylsulfanyl)ethanamine

Systemtic Name: N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]-2-(phenylmethylsulfanyl)ethanamine Openeye Name: N-[(7-benzyloxychroman-2-yl)methyl]-2-benzylsulfanyl-ethanamine CAS Name: N-[(7-phenylmethoxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-2-(phenylmethylthio)ethanamine IUPAC Name: 2-benzylsulfanyl-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]ethanamine Traditional Name: (7-benzoxychroman-2-yl)methyl-[2-(benzylthio)ethyl]amine Formula: C26H29NO2S MolecularWeight: 419.57896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1CNCCSCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=C(C=C2)OCC3=CC=CC=C3)OC1CNCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO2S/c1-3-7-21(8-4-1)19-28-24-13-11-23-12-14-25(29-26(23)17-24)18-27-15-16-30-20-22-9-5-2-6-10-22/h1-11,13,17,25,27H,12,14-16,18-20H2