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

Systemtic Name: 5,8-bis[2-(aziridin-1-yl)ethylamino]benzo[f][1]benzothiole-4,9-dione Openeye Name: 5,8-bis[2-(aziridin-1-yl)ethylamino]benzo[f]benzothiophene-4,9-dione CAS Name: 5,8-bis[2-(1-aziridinyl)ethylamino]benzo[f][1]benzothiole-4,9-dione IUPAC Name: 5,8-bis[2-(aziridin-1-yl)ethylamino]benzo[f][1]benzothiole-4,9-dione Traditional Name: 5,8-bis(2-ethyleniminoethylamino)benzo[f]benzothiophene-4,9-quinone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CCNC2=C3C(=C(C=C2)NCCN4CC4)C(=O)C5=C(C3=O)C=CS5

Isomeric SMILES

C1CN1CCNC2=C3C(=C(C=C2)NCCN4CC4)C(=O)C5=C(C3=O)C=CS5

InChI

InChI=1S/C20H22N4O2S/c25-18-13-3-12-27-20(13)19(26)17-15(22-5-7-24-10-11-24)2-1-14(16(17)18)21-4-6-23-8-9-23/h1-3,12,21-22H,4-11H2