[(2S)-1-[(2,5-dimethylphenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)carbamothioylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(2,5-dimethylphenyl)carbamothioylamino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(2,5-dimethylphenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCC(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H27N3S/c1-15-10-11-16(2)19(12-15)22-20(24)21-14-18(23(3)4)13-17-8-6-5-7-9-17/h5-12,18H,13-14H2,1-4H3,(H2,21,22,24)/p+1/t18-/m0/s1