2-(1,3-benzodioxol-5-yl)-5-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-5-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-(2,1,3-benzothiadiazol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-(piazthiol-5-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C23H19N3O2S2 MolecularWeight: 433.54586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1C3=CC4=C(C=C3)OCO4)CC5=CC6=NSN=C6C=C5

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1C3=CC4=C(C=C3)OCO4)CC5=CC6=NSN=C6C=C5

InChI

InChI=1S/C23H19N3O2S2/c1-2-4-23-19(3-1)26(13-15-5-7-17-18(11-15)25-30-24-17)10-9-22(29-23)16-6-8-20-21(12-16)28-14-27-20/h1-8,11-12,22H,9-10,13-14H2