[4-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(2,5-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(2,5-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=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=CC(=C2)C)C

InChI

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