[(2S)-1-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(2-chloro-4,6-dimethyl-phenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(2-chloro-4,6-dimethylphenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C20H27ClN3S+ MolecularWeight: 376.96648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC(CC2=CC=CC=C2)[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NC[C@H](CC2=CC=CC=C2)[NH+](C)C)C

InChI

InChI=1S/C20H26ClN3S/c1-14-10-15(2)19(18(21)11-14)23-20(25)22-13-17(24(3)4)12-16-8-6-5-7-9-16/h5-11,17H,12-13H2,1-4H3,(H2,22,23,25)/p+1/t17-/m0/s1