dimethyl-[(2R)-1-(phenethylcarbamothioylamino)-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-1-(phenethylcarbamothioylamino)-3-phenyl-propan-2-yl]azanium Openeye Name: [(1R)-1-benzyl-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-1-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-1-(phenethylcarbamothioylamino)-3-phenylpropan-2-yl]azanium Traditional Name: [(1R)-1-benzyl-2-(phenethylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3S/c1-23(2)19(15-18-11-7-4-8-12-18)16-22-20(24)21-14-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3,(H2,21,22,24)/p+1/t19-/m1/s1