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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: N-(4-bromophenyl)-2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]propanamide CAS Name: N-(4-bromophenyl)-2-[3-(1,3-dioxo-2-isoindolyl)propylthio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-2-(3-phthalimidopropylthio)propionamide Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S/c1-13(18(24)22-15-9-7-14(21)8-10-15)27-12-4-11-23-19(25)16-5-2-3-6-17(16)20(23)26/h2-3,5-10,13H,4,11-12H2,1H3,(H,22,24)