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

Systemtic Name: 2-(3-methylbutyl)-1,3-bis(oxidanylidene)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Openeye Name: 2-isopentyl-1,3-dioxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)isoindoline-5-carboxamide CAS Name: 2-(3-methylbutyl)-1,3-dioxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-5-isoindolecarboxamide IUPAC Name: 2-(3-methylbutyl)-1,3-dioxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-2-isoamyl-1,3-diketo-isoindoline-5-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C

InChI

InChI=1S/C21H26N4O3S/c1-4-5-6-7-17-23-24-21(29-17)22-18(26)14-8-9-15-16(12-14)20(28)25(19(15)27)11-10-13(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,22,24,26)