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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: N-(m-tolyl)-2-(3-phthalimidopropylthio)propionamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

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