2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindoline-1,3-dione CAS Name: 2-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione Traditional Name: 2-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methyl]isoindoline-1,3-quinone Formula: C17H13N3O2S2 MolecularWeight: 355.43402

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13N3O2S2/c1-23-17-19-13-7-6-10(8-14(13)24-17)18-9-20-15(21)11-4-2-3-5-12(11)16(20)22/h2-8,18H,9H2,1H3