1,3-bis(oxidanylidene)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(5-benzyl-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:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H16N4O3S/c1-2-10-25-19(27)15-9-8-14(12-16(15)20(25)28)18(26)22-21-24-23-17(29-21)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2,(H,22,24,26)