3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-dodecyl-pyrrolidine-2,5-dione

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-dodecyl-pyrrolidine-2,5-dione Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-dodecyl-pyrrolidine-2,5-dione CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-1-dodecylpyrrolidine-2,5-dione IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1-dodecylpyrrolidine-2,5-dione Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-1-lauryl-pyrrolidine-2,5-quinone Formula: C24H34N2O2S2 MolecularWeight: 446.66896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)CC(C1=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)CC(C1=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C24H34N2O2S2/c1-2-3-4-5-6-7-8-9-10-13-16-26-22(27)17-19(23(26)28)18-29-24-25-20-14-11-12-15-21(20)30-24/h11-12,14-15,19H,2-10,13,16-18H2,1H3