10,10-bis(oxidanylidene)-N1,N9-bis(2-pyrrolidin-1-ylethyl)phenoxathiine-1,9-dicarboxamide

Systemtic Name: 10,10-bis(oxidanylidene)-N1,N9-bis(2-pyrrolidin-1-ylethyl)phenoxathiine-1,9-dicarboxamide Openeye Name: 10,10-dioxo-N1,N9-bis(2-pyrrolidin-1-ylethyl)phenoxathiine-1,9-dicarboxamide CAS Name: 10,10-dioxo-N1,N9-bis[2-(1-pyrrolidinyl)ethyl]phenoxathiine-1,9-dicarboxamide IUPAC Name: 10,10-dioxo-1-N,9-N-bis(2-pyrrolidin-1-ylethyl)phenoxathiine-1,9-dicarboxamide Traditional Name: 10,10-diketo-N,N'-bis(2-pyrrolidinoethyl)phenoxathiine-1,9-dicarboxamide Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=C3C(=CC=C2)OC4=CC=CC(=C4S3(=O)=O)C(=O)NCCN5CCCC5

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=C3C(=CC=C2)OC4=CC=CC(=C4S3(=O)=O)C(=O)NCCN5CCCC5

InChI

InChI=1S/C26H32N4O5S/c31-25(27-11-17-29-13-1-2-14-29)19-7-5-9-21-23(19)36(33,34)24-20(8-6-10-22(24)35-21)26(32)28-12-18-30-15-3-4-16-30/h5-10H,1-4,11-18H2,(H,27,31)(H,28,32)