N-(1,3-benzothiazol-2-yl)-1-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(2-butyl-1,3-diketo-isoindoline-5-carbonyl)pyrrolidine-2-carboxamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC3C(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCCC3C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O4S/c1-2-3-12-29-23(32)16-11-10-15(14-17(16)24(29)33)22(31)28-13-6-8-19(28)21(30)27-25-26-18-7-4-5-9-20(18)34-25/h4-5,7,9-11,14,19H,2-3,6,8,12-13H2,1H3,(H,26,27,30)