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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-2-3-11-25-19(27)15-10-9-14(12-16(15)20(25)28)17(26)22-21-24-23-18(29-21)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3,(H,22,24,26)