2-[4-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-thiochroman-8-yloxyethylamino)butyl]isoindoline-1,3-dione CAS Name: 2-[4-[2-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)ethylamino]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[2-(3,4-dihydro-2H-thiochromen-8-yloxy)ethylamino]butyl]isoindole-1,3-dione Traditional Name: 2-[4-(2-thiochroman-8-yloxyethylamino)butyl]isoindoline-1,3-quinone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)OCCNCCCCN3C(=O)C4=CC=CC=C4C3=O)SC1

Isomeric SMILES

C1CC2=C(C(=CC=C2)OCCNCCCCN3C(=O)C4=CC=CC=C4C3=O)SC1

InChI

InChI=1S/C23H26N2O3S/c26-22-18-9-1-2-10-19(18)23(27)25(22)14-4-3-12-24-13-15-28-20-11-5-7-17-8-6-16-29-21(17)20/h1-2,5,7,9-11,24H,3-4,6,8,12-16H2