[(1R)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1-(4-ethylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3-chloro-2-methylphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium Formula: C20H27ClN3S+ MolecularWeight: 376.96648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NC2=C(C(=CC=C2)Cl)C)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NC2=C(C(=CC=C2)Cl)C)[NH+](C)C

InChI

InChI=1S/C20H26ClN3S/c1-5-15-9-11-16(12-10-15)19(24(3)4)13-22-20(25)23-18-8-6-7-17(21)14(18)2/h6-12,19H,5,13H2,1-4H3,(H2,22,23,25)/p+1/t19-/m0/s1