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

Systemtic Name: [4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)phenyl]methyl-butyl-pentyl-azanium Openeye Name: [4-(benzofuran-2-carbonylcarbamothioylamino)phenyl]methyl-butyl-pentyl-ammonium CAS Name: [4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]methyl-butyl-pentylammonium IUPAC Name: [4-(1-benzofuran-2-carbonylcarbamothioylamino)phenyl]methyl-butyl-pentylazanium Traditional Name: amyl-[4-(benzofuran-2-carbonylthiocarbamoylamino)benzyl]-butyl-ammonium Formula: C26H34N3O2S+ MolecularWeight: 452.63206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2S/c1-3-5-9-17-29(16-6-4-2)19-20-12-14-22(15-13-20)27-26(32)28-25(30)24-18-21-10-7-8-11-23(21)31-24/h7-8,10-15,18H,3-6,9,16-17,19H2,1-2H3,(H2,27,28,30,32)/p+1