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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16N4O4S2/c26-16(13-6-2-1-3-7-13)12-30-21-24-23-20(31-21)22-17(27)10-11-25-18(28)14-8-4-5-9-15(14)19(25)29/h1-9H,10-12H2,(H,22,23,27)