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

Systemtic Name: N-octan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine Openeye Name: N-(1-methylheptyl)isothiochroman-4-amine CAS Name: N-octan-2-yl-3,4-dihydro-1H-2-benzothiopyran-4-amine IUPAC Name: N-octan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine Traditional Name: isothiochroman-4-yl(1-methylheptyl)amine Formula: C17H27NS MolecularWeight: 277.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1CSCC2=CC=CC=C12

Isomeric SMILES

CCCCCCC(C)NC1CSCC2=CC=CC=C12

InChI

InChI=1S/C17H27NS/c1-3-4-5-6-9-14(2)18-17-13-19-12-15-10-7-8-11-16(15)17/h7-8,10-11,14,17-18H,3-6,9,12-13H2,1-2H3