2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-methylsulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H19N3O3S2/c1-11-12(2)28-18(15(11)10-21)22-17(24)16(8-9-27-3)23-19(25)13-6-4-5-7-14(13)20(23)26/h4-7,16H,8-9H2,1-3H3,(H,22,24)