2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)isoindole-5-carboxamide

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)isoindole-5-carboxamide Openeye Name: 2-(o-tolyl)-1,3-dioxo-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]isoindoline-5-carboxamide CAS Name: 2-(2-methylphenyl)-1,3-dioxo-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-5-isoindolecarboxamide IUPAC Name: 2-(2-methylphenyl)-1,3-dioxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-(o-tolyl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]isoindoline-5-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC(C4=CC=CS4)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCC(C4=CC=CS4)N5CCCC5

InChI

InChI=1S/C26H25N3O3S/c1-17-7-2-3-8-21(17)29-25(31)19-11-10-18(15-20(19)26(29)32)24(30)27-16-22(23-9-6-14-33-23)28-12-4-5-13-28/h2-3,6-11,14-15,22H,4-5,12-13,16H2,1H3,(H,27,30)