3-(ethanoylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: 3-(ethanoylcarbamothioylamino)-4-methyl-benzoate Openeye Name: 3-(acetylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[acetamido(sulfanylidene)methyl]amino]-4-methylbenzoate IUPAC Name: 3-(acetylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(acetylthiocarbamoylamino)-4-methyl-benzoate Formula: C11H11N2O3S- MolecularWeight: 251.28164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C

InChI

InChI=1S/C11H12N2O3S/c1-6-3-4-8(10(15)16)5-9(6)13-11(17)12-7(2)14/h3-5H,1-2H3,(H,15,16)(H2,12,13,14,17)/p-1