[(2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(3-chloro-4-methylphenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C18H23ClN3S+ MolecularWeight: 348.91332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3S/c1-13-9-10-15(11-16(13)19)20-18(23)21-17(12-22(2)3)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H2,20,21,23)/p+1/t17-/m1/s1