4-[butyl(phenylcarbamothioyl)amino]benzoic acid

Systemtic Name: 4-[butyl(phenylcarbamothioyl)amino]benzoic acid Openeye Name: 4-[butyl(phenylcarbamothioyl)amino]benzoic acid CAS Name: 4-[[anilino(sulfanylidene)methyl]-butylamino]benzoic acid IUPAC Name: 4-[butyl(phenylcarbamothioyl)amino]benzoic acid Traditional Name: 4-[butyl(phenylthiocarbamoyl)amino]benzoic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)O)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)O)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O2S/c1-2-3-13-20(16-11-9-14(10-12-16)17(21)22)18(23)19-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,19,23)(H,21,22)