[(2S)-3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-3-[(4-methoxyphenyl)carbonylcarbamothioylamino]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-2-hydroxy-3-[(4-methoxybenzoyl)carbamothioylamino]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(4-methoxybenzoyl)carbamothioylamino]propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-(p-anisoylthiocarbamoylamino)propyl]-dimethyl-ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(CNC(=S)NC(=O)C1=CC=C(C=C1)OC)O

Isomeric SMILES

C[NH+](C)C[C@H](CNC(=S)NC(=O)C1=CC=C(C=C1)OC)O

InChI

InChI=1S/C14H21N3O3S/c1-17(2)9-11(18)8-15-14(21)16-13(19)10-4-6-12(20-3)7-5-10/h4-7,11,18H,8-9H2,1-3H3,(H2,15,16,19,21)/p+1/t11-/m0/s1