2-[1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)pyrrolidin-2-yl]-N-(phenylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-benzyl-2-[1-(3,3-dimethyl-2-oxo-pentanoyl)pyrrolidin-2-yl]thiazole-4-carboxamide CAS Name: 2-[1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinyl]-N-(phenylmethyl)-4-thiazolecarboxamide IUPAC Name: N-benzyl-2-[1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-benzyl-2-[1-(2-keto-3,3-dimethyl-pentanoyl)pyrrolidin-2-yl]thiazole-4-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C2=NC(=CS2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C2=NC(=CS2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-4-22(2,3)18(26)21(28)25-12-8-11-17(25)20-24-16(14-29-20)19(27)23-13-15-9-6-5-7-10-15/h5-7,9-10,14,17H,4,8,11-13H2,1-3H3,(H,23,27)