3-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H23N4S2+ MolecularWeight: 371.54272

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H22N4S2/c1-23(2)12-6-11-20-19(24)21-15-8-5-7-14(13-15)18-22-16-9-3-4-10-17(16)25-18/h3-5,7-10,13H,6,11-12H2,1-2H3,(H2,20,21,24)/p+1