N-heptan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine

Systemtic Name: N-heptan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine Openeye Name: N-(1-methylhexyl)isothiochroman-4-amine CAS Name: N-heptan-2-yl-3,4-dihydro-1H-2-benzothiopyran-4-amine IUPAC Name: N-heptan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine Traditional Name: isothiochroman-4-yl(1-methylhexyl)amine Formula: C16H25NS MolecularWeight: 263.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC1CSCC2=CC=CC=C12

Isomeric SMILES

CCCCCC(C)NC1CSCC2=CC=CC=C12

InChI

InChI=1S/C16H25NS/c1-3-4-5-8-13(2)17-16-12-18-11-14-9-6-7-10-15(14)16/h6-7,9-10,13,16-17H,3-5,8,11-12H2,1-2H3