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

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxamide Openeye Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-phenethyl-isoindoline-5-carboxamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-phenethyl-5-isoindolecarboxamide IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-phenethylisoindole-5-carboxamide Traditional Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-diketo-2-phenethyl-isoindoline-5-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-2-17-23-24-21(29-17)22-18(26)14-8-9-15-16(12-14)20(28)25(19(15)27)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,22,24,26)