2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(2-pyridin-3-ylethyl)butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-N-(2-pyridin-3-ylethyl)butanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-N-[2-(3-pyridyl)ethyl]butanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-N-[2-(3-pyridinyl)ethyl]butanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(2-pyridin-3-ylethyl)butanamide Traditional Name: 4-(methylthio)-2-phthalimido-N-[2-(3-pyridyl)ethyl]butyramide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)NCCC1=CN=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3O3S/c1-27-12-9-17(18(24)22-11-8-14-5-4-10-21-13-14)23-19(25)15-6-2-3-7-16(15)20(23)26/h2-7,10,13,17H,8-9,11-12H2,1H3,(H,22,24)