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

Systemtic Name: 2-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(2R)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H23N6OS2+ MolecularWeight: 367.51272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6OS2/c1-10(13(22)19-20-14(23)16-8-9-21(2)3)17-15-18-11-6-4-5-7-12(11)24-15/h4-7,10H,8-9H2,1-3H3,(H,17,18)(H,19,22)(H2,16,20,23)/p+1/t10-/m1/s1