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

Systemtic Name: 1,3-bis(oxidanylidene)-2-phenethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Openeye Name: 1,3-dioxo-2-phenethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindoline-5-carboxamide CAS Name: 1,3-dioxo-2-phenethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-5-isoindolecarboxamide IUPAC Name: 1,3-dioxo-2-phenethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-phenethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)isoindoline-5-carboxamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c1-2-6-18-24-25-22(30-18)23-19(27)15-9-10-16-17(13-15)21(29)26(20(16)28)12-11-14-7-4-3-5-8-14/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,23,25,27)