4-methyl-3-(propanoylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(propanoylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(propanoylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(propanoylcarbamothioylamino)benzoic acid Traditional Name: 4-methyl-3-(propionylthiocarbamoylamino)benzoic acid Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C12H14N2O3S/c1-3-10(15)14-12(18)13-9-6-8(11(16)17)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,16,17)(H2,13,14,15,18)