O-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] [3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxycarbothioyldisulfanyl]methanethioate

Systemtic Name: O-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] [3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxycarbothioyldisulfanyl]methanethioate Openeye Name: O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] [3-(2-oxo-1,3-benzothiazol-3-yl)propoxycarbothioyldisulfanyl]methanethioate CAS Name: [[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy-sulfanylidenemethyl]disulfanyl]methanethioic acid O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] ester IUPAC Name: O-[3-(2-oxo-1,3-benzothiazol-3-yl)propyl] [3-(2-oxo-1,3-benzothiazol-3-yl)propoxycarbothioyldisulfanyl]methanethioate Traditional Name: [3-(2-keto-1,3-benzothiazol-3-yl)propoxycarbothioyldisulfanyl]methanethioic acid O-[3-(2-keto-1,3-benzothiazol-3-yl)propyl] ester Formula: C22H20N2O4S6 MolecularWeight: 568.7952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SSC(=S)OCCCN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC(=S)SSC(=S)OCCCN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C22H20N2O4S6/c25-19-23(15-7-1-3-9-17(15)31-19)11-5-13-27-21(29)33-34-22(30)28-14-6-12-24-16-8-2-4-10-18(16)32-20(24)26/h1-4,7-10H,5-6,11-14H2