6-(1,3-benzothiazol-2-ylsulfanyl)-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-(1,3-benzothiazol-2-ylthio)-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanyl)-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(1,3-benzothiazol-2-ylthio)-2-(2-dimethylaminoethyl)benzo[de]isoquinoline-1,3-quinone Formula: C23H19N3O2S2 MolecularWeight: 433.54586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=C3C(=C(C=C2)SC4=NC5=CC=CC=C5S4)C=CC=C3C1=O

Isomeric SMILES

CN(C)CCN1C(=O)C2=C3C(=C(C=C2)SC4=NC5=CC=CC=C5S4)C=CC=C3C1=O

InChI

InChI=1S/C23H19N3O2S2/c1-25(2)12-13-26-21(27)15-7-5-6-14-18(11-10-16(20(14)15)22(26)28)29-23-24-17-8-3-4-9-19(17)30-23/h3-11H,12-13H2,1-2H3