[4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)phenyl]methyl-diethyl-azanium

Systemtic Name: [4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)phenyl]methyl-diethyl-azanium Openeye Name: [4-(benzofuran-2-carbonylcarbamothioylamino)phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl-diethylammonium IUPAC Name: [4-(1-benzofuran-2-carbonylcarbamothioylamino)phenyl]methyl-diethylazanium Traditional Name: [4-(benzofuran-2-carbonylthiocarbamoylamino)benzyl]-diethyl-ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H23N3O2S/c1-3-24(4-2)14-15-9-11-17(12-10-15)22-21(27)23-20(25)19-13-16-7-5-6-8-18(16)26-19/h5-13H,3-4,14H2,1-2H3,(H2,22,23,25,27)/p+1