methyl 6-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[1,3-bis(oxidanylidene)isoindol-2-yl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(1,3-dioxoisoindolin-2-yl)carbamothioylamino]hexanoate CAS Name: 6-[[[(1,3-dioxo-2-isoindolyl)amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-dioxoisoindol-2-yl)carbamothioylamino]hexanoate Traditional Name: 6-(phthalimidothiocarbamoylamino)hexanoic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-23-13(20)9-3-2-6-10-17-16(24)18-19-14(21)11-7-4-5-8-12(11)15(19)22/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,17,18,24)