[(1S)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C21H29ClN3S+ MolecularWeight: 390.99306

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NC1=C(C=C(C=C1Cl)C)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NC1=C(C=C(C=C1Cl)C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H28ClN3S/c1-5-25(6-2)19(17-10-8-7-9-11-17)14-23-21(26)24-20-16(4)12-15(3)13-18(20)22/h7-13,19H,5-6,14H2,1-4H3,(H2,23,24,26)/p+1/t19-/m1/s1