[2-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(3,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(3,5-dimethylphenyl)thiocarbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C21H29N3S/c1-5-24(6-2)15-19-10-8-7-9-18(19)14-22-21(25)23-20-12-16(3)11-17(4)13-20/h7-13H,5-6,14-15H2,1-4H3,(H2,22,23,25)/p+1