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

Systemtic Name: 2-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindoline-1,3-dione CAS Name: 2-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(2-hexylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]isoindole-1,3-dione Traditional Name: 2-[[[2-(hexylthio)-1,3-benzothiazol-6-yl]amino]methyl]isoindoline-1,3-quinone Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCSC1=NC2=C(S1)C=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O2S2/c1-2-3-4-7-12-28-22-24-18-11-10-15(13-19(18)29-22)23-14-25-20(26)16-8-5-6-9-17(16)21(25)27/h5-6,8-11,13,23H,2-4,7,12,14H2,1H3