2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfonyl-butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylsulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-4-mesyl-2-phthalimido-butyramide Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=NN=C(S1)SCC=C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=NN=C(S1)SCC=C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H18N4O5S3/c1-3-9-28-18-21-20-17(29-18)19-14(23)13(8-10-30(2,26)27)22-15(24)11-6-4-5-7-12(11)16(22)25/h3-7,13H,1,8-10H2,2H3,(H,19,20,23)