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

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

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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)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

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