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

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(4-ethoxyphenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(4-ethoxyphenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-(p-phenetylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H27N3OS/c1-4-24-19-12-10-17(11-13-19)22-20(25)21-15-18(23(2)3)14-16-8-6-5-7-9-16/h5-13,18H,4,14-15H2,1-3H3,(H2,21,22,25)/p+1/t18-/m0/s1