N1,N9-bis(3-morpholin-4-ylpropyl)-10,10-bis(oxidanylidene)phenoxathiine-1,9-dicarboxamide

Systemtic Name: N1,N9-bis(3-morpholin-4-ylpropyl)-10,10-bis(oxidanylidene)phenoxathiine-1,9-dicarboxamide Openeye Name: N1,N9-bis(3-morpholinopropyl)-10,10-dioxo-phenoxathiine-1,9-dicarboxamide CAS Name: N1,N9-bis[3-(4-morpholinyl)propyl]-10,10-dioxophenoxathiine-1,9-dicarboxamide IUPAC Name: 1-N,9-N-bis(3-morpholin-4-ylpropyl)-10,10-dioxophenoxathiine-1,9-dicarboxamide Traditional Name: 10,10-diketo-N,N'-bis(3-morpholinopropyl)phenoxathiine-1,9-dicarboxamide Formula: C28H36N4O7S MolecularWeight: 572.67304

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=C3C(=CC=C2)OC4=CC=CC(=C4S3(=O)=O)C(=O)NCCCN5CCOCC5

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=C3C(=CC=C2)OC4=CC=CC(=C4S3(=O)=O)C(=O)NCCCN5CCOCC5

InChI

InChI=1S/C28H36N4O7S/c33-27(29-9-3-11-31-13-17-37-18-14-31)21-5-1-7-23-25(21)40(35,36)26-22(6-2-8-24(26)39-23)28(34)30-10-4-12-32-15-19-38-20-16-32/h1-2,5-8H,3-4,9-20H2,(H,29,33)(H,30,34)