N-[1,3-bis(oxidanylidene)isoindol-5-yl]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[1,3-bis(oxidanylidene)isoindol-5-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(1,3-dioxoisoindolin-5-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(1,3-dioxo-5-isoindolyl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(1,3-dioxoisoindol-5-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(1,3-diketoisoindolin-5-yl)-4-(p-tolylthio)butyramide Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O

InChI

InChI=1S/C19H18N2O3S/c1-12-4-7-14(8-5-12)25-10-2-3-17(22)20-13-6-9-15-16(11-13)19(24)21-18(15)23/h4-9,11H,2-3,10H2,1H3,(H,20,22)(H,21,23,24)