(2R)-1-[2-[(3-carbamothioylphenyl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-[2-[(3-carbamothioylphenyl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-[2-(3-carbamothioylanilino)-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-[2-(3-carbamothioylanilino)-2-oxoethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[2-(3-carbamothioylanilino)-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-[2-keto-2-(3-thiocarbamoylanilino)ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C14H19N4O2S+ MolecularWeight: 307.39126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=S)N)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=CC=CC(=C2)C(=S)N)C(=O)N

InChI

InChI=1S/C14H18N4O2S/c15-13(20)11-5-2-6-18(11)8-12(19)17-10-4-1-3-9(7-10)14(16)21/h1,3-4,7,11H,2,5-6,8H2,(H2,15,20)(H2,16,21)(H,17,19)/p+1/t11-/m1/s1