2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]ethyl-diisopropyl-ammonium Formula: C17H26N3OS2+ MolecularWeight: 352.53784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)CSC1=NC2=CC=CC=C2S1)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)CSC1=NC2=CC=CC=C2S1)C(C)C

InChI

InChI=1S/C17H25N3OS2/c1-12(2)20(13(3)4)10-9-18-16(21)11-22-17-19-14-7-5-6-8-15(14)23-17/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)/p+1