3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylcarbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C16H25N4S2+ MolecularWeight: 337.5265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=S)NCCC[NH+](C)C

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H24N4S2/c1-12(15-18-13-8-5-6-9-14(13)22-15)20(4)16(21)17-10-7-11-19(2)3/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,17,21)/p+1/t12-/m1/s1