3-(4-chloranylbutanoylcarbamothioylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(4-chloranylbutanoylcarbamothioylamino)-2-methyl-benzoic acid Openeye Name: 3-(4-chlorobutanoylcarbamothioylamino)-2-methyl-benzoic acid CAS Name: 3-[[[(4-chloro-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-(4-chlorobutanoylcarbamothioylamino)-2-methylbenzoic acid Traditional Name: 3-(4-chlorobutanoylthiocarbamoylamino)-2-methyl-benzoic acid Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CCCCl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CCCCl)C(=O)O

InChI

InChI=1S/C13H15ClN2O3S/c1-8-9(12(18)19)4-2-5-10(8)15-13(20)16-11(17)6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,18,19)(H2,15,16,17,20)