[4-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C21H29ClN3S+ MolecularWeight: 390.99306

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H28ClN3S/c1-5-25(6-2)14-18-9-7-17(8-10-18)13-23-21(26)24-20-16(4)11-15(3)12-19(20)22/h7-12H,5-6,13-14H2,1-4H3,(H2,23,24,26)/p+1