3-[[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[[(2S)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H25N6OS2+ MolecularWeight: 381.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCCC[NH+](C)C)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCCC[NH+](C)C)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H24N6OS2/c1-11(18-16-19-12-7-4-5-8-13(12)25-16)14(23)20-21-15(24)17-9-6-10-22(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,18,19)(H,20,23)(H2,17,21,24)/p+1/t11-/m0/s1