4-chloranyl-3-(3-methylbutanoylcarbamothioylamino)benzoate

Systemtic Name: 4-chloranyl-3-(3-methylbutanoylcarbamothioylamino)benzoate Openeye Name: 4-chloro-3-(3-methylbutanoylcarbamothioylamino)benzoate CAS Name: 4-chloro-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-chloro-3-(3-methylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-chloro-3-(isovalerylthiocarbamoylamino)benzoate Formula: C13H14ClN2O3S- MolecularWeight: 313.77986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)[O-])Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)[O-])Cl

InChI

InChI=1S/C13H15ClN2O3S/c1-7(2)5-11(17)16-13(20)15-10-6-8(12(18)19)3-4-9(10)14/h3-4,6-7H,5H2,1-2H3,(H,18,19)(H2,15,16,17,20)/p-1