4-[(propylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(propylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(propylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[propylamino(sulfanylidene)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[(propylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(propylthiocarbamoylamino)methyl]benzoic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCNC(=S)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16N2O2S/c1-2-7-13-12(17)14-8-9-3-5-10(6-4-9)11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)