2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide Traditional Name: 4-(methylthio)-N-(2-phenyl-2-pyrrolidino-ethyl)-2-phthalimido-butyramide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(C1=CC=CC=C1)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)NCC(C1=CC=CC=C1)N2CCCC2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H29N3O3S/c1-32-16-13-21(28-24(30)19-11-5-6-12-20(19)25(28)31)23(29)26-17-22(27-14-7-8-15-27)18-9-3-2-4-10-18/h2-6,9-12,21-22H,7-8,13-17H2,1H3,(H,26,29)