[(1R)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-1-(4-ethylphenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(4-ethoxyphenyl)carbamothioylamino]-1-(4-ethylphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-(p-phenetylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3OS/c1-5-16-7-9-17(10-8-16)20(24(3)4)15-22-21(26)23-18-11-13-19(14-12-18)25-6-2/h7-14,20H,5-6,15H2,1-4H3,(H2,22,23,26)/p+1/t20-/m0/s1