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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C1=CC=CC=C1)NC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC[NH+](CC)C[C@H](C1=CC=CC=C1)NC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H28ClN3S/c1-5-25(6-2)14-19(17-10-8-7-9-11-17)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