[(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2,5-dimethylphenyl)carbamothioylamino]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2,5-dimethylphenyl)thiocarbamoylamino]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=C(C=C2)OC)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)[NH+](C)C

InChI

InChI=1S/C20H27N3OS/c1-14-6-7-15(2)18(12-14)22-20(25)21-13-19(23(3)4)16-8-10-17(24-5)11-9-16/h6-12,19H,13H2,1-5H3,(H2,21,22,25)/p+1/t19-/m1/s1