N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxamide Openeye Name: 2-benzyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-benzyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C21H16N4O3S MolecularWeight: 404.44174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

InChI

InChI=1S/C21H16N4O3S/c26-17(22-21-24-23-18(29-21)13-6-7-13)14-8-9-15-16(10-14)20(28)25(19(15)27)11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2,(H,22,24,26)