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

Systemtic Name: 2-[4-[(2,4-dimethylphenyl)carbamothioylamino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[(2,4-dimethylphenyl)carbamothioylamino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[(2,4-dimethylanilino)-sulfanylidenemethyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[(2,4-dimethylphenyl)carbamothioylamino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[(2,4-dimethylphenyl)thiocarbamoylamino]benzoyl]oxyethyl-diethyl-ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C22H29N3O2S/c1-5-25(6-2)13-14-27-21(26)18-8-10-19(11-9-18)23-22(28)24-20-12-7-16(3)15-17(20)4/h7-12,15H,5-6,13-14H2,1-4H3,(H2,23,24,28)/p+1