diethyl-[[4-[[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]methyl]benzyl]ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-3-25(4-2)16-18-12-10-17(11-13-18)14-23-21(27)20-15-24-22(28)26(20)19-8-6-5-7-9-19/h5-13,15H,3-4,14,16H2,1-2H3,(H,23,27)(H,24,28)/p+1