11-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)undecanamide

Systemtic Name: 11-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)undecanamide Openeye Name: 11-(1,3-dioxoisoindolin-2-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)undecanamide CAS Name: 11-(1,3-dioxo-2-isoindolyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]undecanamide IUPAC Name: 11-(1,3-dioxoisoindol-2-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)undecanamide Traditional Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-11-phthalimido-undecanamide Formula: C29H32N4O4S2 MolecularWeight: 564.71878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H32N4O4S2/c34-24(21-14-8-7-9-15-21)20-38-29-32-31-28(39-29)30-25(35)18-10-5-3-1-2-4-6-13-19-33-26(36)22-16-11-12-17-23(22)27(33)37/h7-9,11-12,14-17H,1-6,10,13,18-20H2,(H,30,31,35)