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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2C(=S)N)C(=O)N

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC2=CC=CC=C2C(=S)N)C(=O)N

InChI

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