dimethyl-[(1S)-1-phenyl-2-[(phenylmethyl)carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(phenylmethyl)carbamothioylamino]ethyl]azanium Openeye Name: [(1S)-2-(benzylcarbamothioylamino)-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: [(1S)-2-(benzylcarbamothioylamino)-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-(benzylthiocarbamoylamino)-1-phenyl-ethyl]-dimethyl-ammonium Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H23N3S/c1-21(2)17(16-11-7-4-8-12-16)14-20-18(22)19-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H2,19,20,22)/p+1/t17-/m1/s1