[(2S)-2-[(4-ethoxyphenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(4-ethoxyphenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(4-ethoxyphenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(4-ethoxyphenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: dimethyl-[(2S)-2-phenyl-2-(p-phenetylthiocarbamoylamino)ethyl]ammonium Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3OS/c1-4-23-17-12-10-16(11-13-17)20-19(24)21-18(14-22(2)3)15-8-6-5-7-9-15/h5-13,18H,4,14H2,1-3H3,(H2,20,21,24)/p+1/t18-/m1/s1