[(1S)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2,3-dimethylphenyl)carbamothioylamino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(2,3-dimethylphenyl)thiocarbamoylamino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NC1=CC=CC(=C1C)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NC1=CC=CC(=C1C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3S/c1-5-24(6-2)20(18-12-8-7-9-13-18)15-22-21(25)23-19-14-10-11-16(3)17(19)4/h7-14,20H,5-6,15H2,1-4H3,(H2,22,23,25)/p+1/t20-/m1/s1