4-(piperidin-1-ylcarbothioylamino)benzoic acid

Systemtic Name: 4-(piperidin-1-ylcarbothioylamino)benzoic acid Openeye Name: 4-(piperidine-1-carbothioylamino)benzoic acid CAS Name: 4-[[1-piperidinyl(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 4-(piperidine-1-carbothioylamino)benzoic acid Traditional Name: 4-(piperidine-1-carbothioylamino)benzoic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16N2O2S/c16-12(17)10-4-6-11(7-5-10)14-13(18)15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H,14,18)(H,16,17)