[(1S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[(3-chloro-2-methylphenyl)carbamothioylamino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C20H27ClN3S+ MolecularWeight: 376.96648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=S)NC1=C(C(=CC=C1)Cl)C)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=S)NC1=C(C(=CC=C1)Cl)C)C2=CC=CC=C2

InChI

InChI=1S/C20H26ClN3S/c1-4-24(5-2)19(16-10-7-6-8-11-16)14-22-20(25)23-18-13-9-12-17(21)15(18)3/h6-13,19H,4-5,14H2,1-3H3,(H2,22,23,25)/p+1/t19-/m1/s1