4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]butyramide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C22H24BrN3O3S/c23-15-7-8-16-17(13-15)22(29)26(21(16)28)11-3-6-20(27)24-14-18(19-5-4-12-30-19)25-9-1-2-10-25/h4-5,7-8,12-13,18H,1-3,6,9-11,14H2,(H,24,27)