4-methyl-3-(propylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(propylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(propylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[propylamino(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(propylcarbamothioylamino)benzoic acid Traditional Name: 4-methyl-3-(propylthiocarbamoylamino)benzoic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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