[4-[[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(3-chloro-2-methyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(3-chloro-2-methylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C20H27ClN3S+ MolecularWeight: 376.96648

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3S/c1-4-24(5-2)14-17-11-9-16(10-12-17)13-22-20(25)23-19-8-6-7-18(21)15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H2,22,23,25)/p+1