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

Systemtic Name: dimethyl-[1-[[(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(3-phenyl-2-thioxo-1H-imidazole-4-carbonyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[oxo-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[(3-phenyl-2-thioxo-4-imidazoline-4-carbonyl)amino]methyl]cycloheptyl]ammonium Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-23(2)20(12-8-3-4-9-13-20)15-22-18(25)17-14-21-19(26)24(17)16-10-6-5-7-11-16/h5-7,10-11,14H,3-4,8-9,12-13,15H2,1-2H3,(H,21,26)(H,22,25)/p+1