2-butyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-(3-cyano-4,5-dimethyl-2-thienyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-(3-cyano-4,5-dimethyl-2-thienyl)-1,3-diketo-isoindoline-5-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C#N

InChI

InChI=1S/C20H19N3O3S/c1-4-5-8-23-19(25)14-7-6-13(9-15(14)20(23)26)17(24)22-18-16(10-21)11(2)12(3)27-18/h6-7,9H,4-5,8H2,1-3H3,(H,22,24)