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

Systemtic Name: N-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]phenyl]butanamide Openeye Name: N-[4-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]phenyl]butanamide CAS Name: N-[4-[3-(1,3-dioxo-2-isoindolyl)propylthio]phenyl]butanamide IUPAC Name: N-[4-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]butanamide Traditional Name: N-[4-(3-phthalimidopropylthio)phenyl]butyramide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O3S/c1-2-6-19(24)22-15-9-11-16(12-10-15)27-14-5-13-23-20(25)17-7-3-4-8-18(17)21(23)26/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,24)