2-(2-dimethylaminoethyl)-5-nitro-6-thiomorpholin-4-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-dimethylaminoethyl)-5-nitro-6-thiomorpholin-4-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-dimethylaminoethyl)-5-nitro-6-thiomorpholino-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-dimethylaminoethyl)-5-nitro-6-thiomorpholin-4-ylbenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-dimethylaminoethyl)-5-nitro-6-thiomorpholin-4-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-dimethylaminoethyl)-5-nitro-6-thiomorpholino-benzo[de]isoquinoline-1,3-quinone Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=CC=CC3=C2C(=CC(=C3N4CCSCC4)[N+](=O)[O-])C1=O

Isomeric SMILES

CN(C)CCN1C(=O)C2=CC=CC3=C2C(=CC(=C3N4CCSCC4)[N+](=O)[O-])C1=O

InChI

InChI=1S/C20H22N4O4S/c1-21(2)6-7-23-19(25)14-5-3-4-13-17(14)15(20(23)26)12-16(24(27)28)18(13)22-8-10-29-11-9-22/h3-5,12H,6-11H2,1-2H3