2-(pyrrolidin-1-ylcarbothioylamino)benzoic acid

Systemtic Name: 2-(pyrrolidin-1-ylcarbothioylamino)benzoic acid Openeye Name: 2-(pyrrolidine-1-carbothioylamino)benzoic acid CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 2-(pyrrolidine-1-carbothioylamino)benzoic acid Traditional Name: 2-(pyrrolidine-1-carbothioylamino)benzoic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCN(C1)C(=S)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14N2O2S/c15-11(16)9-5-1-2-6-10(9)13-12(17)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,13,17)(H,15,16)