methyl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamothioylamino]butanoate Openeye Name: methyl 4-[(1,3-dioxoisoindolin-2-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(1,3-dioxo-2-isoindolyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxoisoindol-2-yl)carbamothioylamino]butanoate Traditional Name: 4-(phthalimidothiocarbamoylamino)butyric acid methyl ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)CCCNC(=S)NN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H15N3O4S/c1-21-11(18)7-4-8-15-14(22)16-17-12(19)9-5-2-3-6-10(9)13(17)20/h2-3,5-6H,4,7-8H2,1H3,(H2,15,16,22)