3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(2-thienyl)ethyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2-thiophen-2-ylethyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-thiophen-2-ylethyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[2-(2-thienyl)ethyl]propane-1-sulfonamide Formula: C16H18N2O2S4 MolecularWeight: 398.58632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCCC3=CC=CS3

InChI

InChI=1S/C16H18N2O2S4/c19-24(20,17-9-8-13-5-3-10-21-13)12-4-11-22-16-18-14-6-1-2-7-15(14)23-16/h1-3,5-7,10,17H,4,8-9,11-12H2