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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(4-ethylphenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(4-ethylanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(4-ethylphenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(4-ethylphenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H27N3S/c1-4-16-10-12-18(13-11-16)22-20(24)21-15-19(23(2)3)14-17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3,(H2,21,22,24)/p+1/t19-/m0/s1