5,8-bis(2-dimethylaminoethylamino)benzo[f][1]benzothiole-4,9-dione

Systemtic Name: 5,8-bis(2-dimethylaminoethylamino)benzo[f][1]benzothiole-4,9-dione Openeye Name: 5,8-bis(2-dimethylaminoethylamino)benzo[f]benzothiophene-4,9-dione CAS Name: 5,8-bis(2-dimethylaminoethylamino)benzo[f][1]benzothiole-4,9-dione IUPAC Name: 5,8-bis(2-dimethylaminoethylamino)benzo[f][1]benzothiole-4,9-dione Traditional Name: 5,8-bis(2-dimethylaminoethylamino)benzo[f]benzothiophene-4,9-quinone Formula: C20H26N4O2S MolecularWeight: 386.51104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C2=O)C=CS3

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C2=O)C=CS3

InChI

InChI=1S/C20H26N4O2S/c1-23(2)10-8-21-14-5-6-15(22-9-11-24(3)4)17-16(14)18(25)13-7-12-27-20(13)19(17)26/h5-7,12,21-22H,8-11H2,1-4H3