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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]-2-phthalimido-propionamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NN=C(S1)SCC(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)NC1=NN=C(S1)SCC(=O)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16N4O4S2/c1-12(25-18(28)14-9-5-6-10-15(14)19(25)29)17(27)22-20-23-24-21(31-20)30-11-16(26)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,22,23,27)