3-[[4-(1-benzofuran-2-yl)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(1-benzofuran-2-yl)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(benzofuran-2-yl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(2-benzofuranyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(1-benzofuran-2-yl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(benzofuran-2-yl)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H23N3OS/c1-23(2)13-5-12-21-20(25)22-17-10-8-15(9-11-17)19-14-16-6-3-4-7-18(16)24-19/h3-4,6-11,14H,5,12-13H2,1-2H3,(H2,21,22,25)/p+1