2-butyl-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-5-10-24-20(26)15-9-8-14(12-16(15)21(24)27)19(25)22-13-17(23(2)3)18-7-6-11-28-18/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,22,25)