2-[5-(3,4-dihydro-2H-chromen-2-ylmethylamino)heptyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[5-(3,4-dihydro-2H-chromen-2-ylmethylamino)heptyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[5-(chroman-2-ylmethylamino)heptyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[5-(3,4-dihydro-2H-1-benzopyran-2-ylmethylamino)heptyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[5-(3,4-dihydro-2H-chromen-2-ylmethylamino)heptyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[5-(chroman-2-ylmethylamino)heptyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O)NCC3CCC4=CC=CC=C4O3

Isomeric SMILES

CCC(CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O)NCC3CCC4=CC=CC=C4O3

InChI

InChI=1S/C24H30N2O4S/c1-2-19(25-17-20-15-14-18-9-3-5-12-22(18)30-20)10-7-8-16-26-24(27)21-11-4-6-13-23(21)31(26,28)29/h3-6,9,11-13,19-20,25H,2,7-8,10,14-17H2,1H3