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

Systemtic Name: [4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)phenyl]methyl-dibutyl-azanium Openeye Name: [4-(benzofuran-2-carbonylcarbamothioylamino)phenyl]methyl-dibutyl-ammonium CAS Name: [4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl-dibutylammonium IUPAC Name: [4-(1-benzofuran-2-carbonylcarbamothioylamino)phenyl]methyl-dibutylazanium Traditional Name: [4-(benzofuran-2-carbonylthiocarbamoylamino)benzyl]-dibutyl-ammonium Formula: C25H32N3O2S+ MolecularWeight: 438.60548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O2S/c1-3-5-15-28(16-6-4-2)18-19-11-13-21(14-12-19)26-25(31)27-24(29)23-17-20-9-7-8-10-22(20)30-23/h7-14,17H,3-6,15-16,18H2,1-2H3,(H2,26,27,29,31)/p+1