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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C18H21N4S2+ MolecularWeight: 357.51614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4S2/c1-22(2)11-10-19-18(23)20-14-7-5-6-13(12-14)17-21-15-8-3-4-9-16(15)24-17/h3-9,12H,10-11H2,1-2H3,(H2,19,20,23)/p+1