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

Systemtic Name: N-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]phenyl]butanamide Openeye Name: N-[4-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]phenyl]butanamide CAS Name: N-[4-[(1,3-dioxo-2-isoindolyl)methylthio]phenyl]butanamide IUPAC Name: N-[4-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]butanamide Traditional Name: N-[4-(phthalimidomethylthio)phenyl]butyramide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H18N2O3S/c1-2-5-17(22)20-13-8-10-14(11-9-13)25-12-21-18(23)15-6-3-4-7-16(15)19(21)24/h3-4,6-11H,2,5,12H2,1H3,(H,20,22)