4-[[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]-N-methyl-benzamide

Systemtic Name: 4-[[(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]-N-methyl-benzamide Openeye Name: 4-[[(2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]amino]-N-methyl-benzamide CAS Name: 4-[[(2S)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]amino]-N-methylbenzamide IUPAC Name: 4-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]-N-methylbenzamide Traditional Name: N-methyl-4-[[(2S)-4-(methylthio)-2-phthalimido-butanoyl]amino]benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O4S/c1-22-18(25)13-7-9-14(10-8-13)23-19(26)17(11-12-29-2)24-20(27)15-5-3-4-6-16(15)21(24)28/h3-10,17H,11-12H2,1-2H3,(H,22,25)(H,23,26)/t17-/m0/s1