3-(butylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(butylcarbamothioylamino)benzoic acid Openeye Name: 3-(butylcarbamothioylamino)benzoic acid CAS Name: 3-[[butylamino(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 3-(butylcarbamothioylamino)benzoic acid Traditional Name: 3-(butylthiocarbamoylamino)benzoic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16N2O2S/c1-2-3-7-13-12(17)14-10-6-4-5-9(8-10)11(15)16/h4-6,8H,2-3,7H2,1H3,(H,15,16)(H2,13,14,17)